Geometry & MOs

Info

ID:	1322
PubChem CID:	4163
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	6.52
IP(EA), eV:	-8.24(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxybutan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C

DOS

IR

Vibrations