Geometry & MOs

Info

ID:	427447
PubChem CID:	135159032
Reduced:	N2C5H10 (2)
Stoich.:	A2B5C10 (2)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	47.28
Dipole, Da:	3.73
IP(EA), eV:	-8.51(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxyphenyl)methoxy]-3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C/NC(=NC(C)C)CN(C)N=C

DOS

IR

Vibrations