Geometry & MOs

Info

ID:

426373

PubChem CID:

135143665

Reduced:

N2H40C53 (1)

Stoich.:

A2B40C53 (1)

Weight, g/mol:

786.280001

ΔHf, kcal/mol:

211.88

Dipole, Da:

2.7

IP(EA), eV:

 -8.03(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-[(1Z)-buta-1,3-dienyl]-6'-(4-carbazol-9-ylphenyl)-2'-methyl-1'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,4'-phosphinoline] 1'-oxide

Drug info:

PubChemData

Smile

CC1=C(C2(C3=CC=CC=C3N4C5=CC=CC=C5C6=C4C2=CC=C6)C7=C(C1(C)C)C=CC(=C7)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)/C=C\C=C

DOS

IR

Vibrations