Geometry & MOs

Info

ID:	354724
PubChem CID:	127287423
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	4.22
IP(EA), eV:	-8.8(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-4-methylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)N2CCCSCC2

DOS

IR

Vibrations