Geometry & MOs

Info

ID:	196391
PubChem CID:	78818896
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	12.57
Dipole, Da:	2.53
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzoyl-2-nitrophenyl)-N-ethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(CC2=CC=CS2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

DOS

IR

Vibrations