Geometry & MOs

Info

ID:	294733
PubChem CID:	117487204
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	1.78
IP(EA), eV:	-8.36(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C/C(=C/2\C=C(NN2C)C(=O)O)/C(=O)C(=C1)C(C)(C)C

DOS

IR

Vibrations