Geometry & MOs

Info

ID:	183271
PubChem CID:	77000438
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	308.09277
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	7.76
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-6-(2,2-dimethyl-3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1C2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations