Geometry & MOs

Info

ID:	261439
PubChem CID:	103234175
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	5.76
IP(EA), eV:	-8.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(3-chloroanilino)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(C)C(=O)O)C

DOS

IR

Vibrations