Geometry & MOs

Info

ID:	342313
PubChem CID:	127265090
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	1.7
IP(EA), eV:	-9.65(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C=CC(=O)N(CC2=CC=CC=C2)CC(=O)O

DOS

IR

Vibrations