Geometry & MOs

Info

ID:

426452

PubChem CID:

135144200

Reduced:

NOH29C42 (1)

Stoich.:

ABC29D42 (1)

Weight, g/mol:

744.288912

ΔHf, kcal/mol:

270.26

Dipole, Da:

2.48

IP(EA), eV:

 -8.06(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-[(1Z)-buta-1,3-dienyl]-2'-methyl-6'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[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'-chromene]

Drug info:

PubChemData

Smile

CC1=C2/C(=C\C=C)/C3=CC=CC=C3N2C4=CC=CC=C4C15C6=C(C=C(C=C6)C7=CC=CC8=CC=CC=C87)OC9=CC=CC=C59

DOS

IR

Vibrations