Geometry & MOs

Info

ID:	27561
PubChem CID:	822176
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-79.88
Dipole, Da:	4.98
IP(EA), eV:	-10.35(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-6-(4-methylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)CN1C2=C(C=C(C=N2)[N+](=O)[O-])C(=O)NC1=O

DOS

IR

Vibrations