Geometry & MOs

Info

ID:	366832
PubChem CID:	127320420
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	0.85
IP(EA), eV:	-8.76(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)N1CCCC2=CC=CC=C21)N3CCCCCC3

DOS

IR

Vibrations