Geometry & MOs

Info

ID:	369418
PubChem CID:	127333355
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	3.51
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-(2-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC(C1)CN(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

DOS

IR

Vibrations