Geometry & MOs

Info

ID:	26745
PubChem CID:	797438
Reduced:	ClNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	345.111341
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	5.73
IP(EA), eV:	-8.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OCC(=O)NC2=CC(=C(C=C2)OC)Cl)C

DOS

IR

Vibrations