Geometry & MOs

Info

ID:	339529
PubChem CID:	127261519
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	267.125929
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	6.27
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(Z)-2-(4-methylphenyl)ethenyl]anilino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=CC=CC=C2NCC(=O)O

DOS

IR

Vibrations