Geometry & MOs

Info

ID:	342227
PubChem CID:	127265004
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	339.083076
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	11.17
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations