Geometry & MOs

Info

ID:	403435
PubChem CID:	135060310
Reduced:	N2O2H16C19 (1)
Stoich.:	A2B2C16D19 (1)
Weight, g/mol:	416.075684
ΔH_f, kcal/mol:	12.31
Dipole, Da:	2.43
IP(EA), eV:	-8.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-1-(5-nitro-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=NC=CC3=C2NC4=CC=CC=C34

DOS

IR

Vibrations