Geometry & MOs

Info

ID:	346016
PubChem CID:	127270333
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	382.240248
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	2.95
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]propanamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1=CN(C(=O)NC1=O)C)C2CC2

DOS

IR

Vibrations