Geometry & MOs

Info

ID:	14088
PubChem CID:	403873
Reduced:	NO4H21C26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	411.147058
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	1.65
IP(EA), eV:	-8.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-5-[(3-methylphenyl)methyl]-6-oxo-11H-benzo[b]carbazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC

DOS

IR

Vibrations