Geometry & MOs

Info

ID:	335484
PubChem CID:	127254346
Reduced:	O3N4C24H34 (1)
Stoich.:	A3B4C24D34 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	3.65
IP(EA), eV:	-8.3(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N2CCN(CC2)CCC3=CC=NC=C3

DOS

IR

Vibrations