Geometry & MOs

Info

ID:	342315
PubChem CID:	127265092
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	8.46
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NN2CC(=O)NC3=CC=C(C=C3)C=CC(=O)O

DOS

IR

Vibrations