Geometry & MOs

Info

ID:	358456
PubChem CID:	127296052
Reduced:	ON2C10H18 (2)
Stoich.:	AB2C10D18 (2)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-125.11
Dipole, Da:	5.59
IP(EA), eV:	-8.78(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(CC1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations