Geometry & MOs

Info

ID:	335093
PubChem CID:	127253899
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-180.47
Dipole, Da:	4.39
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations