Geometry & MOs

Info

ID:	165446
PubChem CID:	74550462
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	338.186852
ΔH_f, kcal/mol:	-57.83
Dipole, Da:	6.56
IP(EA), eV:	-8.55(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-4-[3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium

Drug info:

PubChemData

Smile

CN(CC1NC2C(C=C(S2)C3=CC=CC=C3)C(=O)N1)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations