Geometry & MOs

Info

ID:	184622
PubChem CID:	77184535
Reduced:	N2O5C27H32 (1)
Stoich.:	A2B5C27D32 (1)
Weight, g/mol:	424.163436
ΔH_f, kcal/mol:	-150.27
Dipole, Da:	5.93
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-11-oxo-8-(2,3,4-trihydroxybutoxy)-5H-benzo[b]carbazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OCCN3CCN(CC3)CC(CO)O)C(=O)C4=C1OC5=CC=CC=C54)C

DOS

IR

Vibrations