Geometry & MOs

Info

ID:	295057
PubChem CID:	117513596
Reduced:	ClN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-118.54
Dipole, Da:	10.13
IP(EA), eV:	-9.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC(=C1C3=CC(=NN3C)C(=O)O)Cl)OCCO2

DOS

IR

Vibrations