Geometry & MOs

Info

ID:	342314
PubChem CID:	127265091
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	12.94
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-indazol-1-ylacetyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)C(=O)NC2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations