Geometry & MOs

Info

ID:	447052
PubChem CID:	135279832
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	458.178299
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	4.04
IP(EA), eV:	-9.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

Drug info:

PubChemData

Smile

CCN(C(C1=NC=CC=N1)C(C)O)C(=O)C2CCC(N2C(=O)C(C)C)C

DOS

IR

Vibrations