Geometry & MOs

Info

ID:	365917
PubChem CID:	127319182
Reduced:	O3N4C16H28 (1)
Stoich.:	A3B4C16D28 (1)
Weight, g/mol:	392.315127
ΔH_f, kcal/mol:	-163.1
Dipole, Da:	5.58
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)NCCN2C(=O)CCC2=O

DOS

IR

Vibrations