Geometry & MOs

Info

ID:	359259
PubChem CID:	127297783
Reduced:	SN2O3C12H22 (1)
Stoich.:	AB2C3D12E22 (1)
Weight, g/mol:	364.283826
ΔH_f, kcal/mol:	-156.96
Dipole, Da:	6.11
IP(EA), eV:	-10.01(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[(1-methylcyclopentyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCC1)CNC(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations