Geometry & MOs

Info

ID:	165500
PubChem CID:	74558947
Reduced:	N3O4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	316.202502
ΔH_f, kcal/mol:	-51.77
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793969
Charge, e:	1

Chem-info

IUPAC name:

1-(cyclohex-3-en-1-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazin-1-ium

Drug info:

PubChemData

Smile

C1COCCN1CC(=O)NN=CC2=CC=C(C=C2)C(=O)[O-]

DOS

IR

Vibrations