Geometry & MOs

Info

ID:	347969
PubChem CID:	127273031
Reduced:	SO2N4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	310.236876
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	1.38
IP(EA), eV:	-8.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CN1CSCC1=O)N2CCN(CC2)C

DOS

IR

Vibrations