Geometry & MOs

Info

ID:	358457
PubChem CID:	127296053
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	399.299811
ΔH_f, kcal/mol:	-75.39
Dipole, Da:	2.53
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations