Geometry & MOs

Info

ID:	75669
PubChem CID:	48423822
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	6.04
IP(EA), eV:	-9.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)C(C)OCC2CC2

DOS

IR

Vibrations