Geometry & MOs

Info

ID:	294452
PubChem CID:	117461890
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-86.16
Dipole, Da:	10.7
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(cyclopropylmethoxy)-5-methylphenyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2)C3=CC(=NN3C)C(=O)O)C

DOS

IR

Vibrations