Geometry & MOs

Info

ID:	27483
PubChem CID:	821575
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	239.034921
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	3.26
IP(EA), eV:	-9.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(2-chlorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)C(=C1CCCCCN1)C(=O)C

DOS

IR

Vibrations