Geometry & MOs

Info

ID:	22440
PubChem CID:	597197
Reduced:	NOC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	7.02
IP(EA), eV:	-9.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylpyrazol-4-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C=CC(=O)O

DOS

IR

Vibrations