Geometry & MOs

Info

ID:	350239
PubChem CID:	127277317
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	345.183461
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	3.45
IP(EA), eV:	-8.9(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclopropyl)-4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCC3=C(C2)C=C(C=C3)O

DOS

IR

Vibrations