Geometry & MOs

Info

ID:

316672

PubChem CID:

126631473

Reduced:

N2H32C45 (1)

Stoich.:

A2B32C45 (1)

Weight, g/mol:

650.272199

ΔHf, kcal/mol:

194.48

Dipole, Da:

1.63

IP(EA), eV:

 -8.0(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C5C(=CC=C4)N(C6=C5C7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8

DOS

IR

Vibrations