Geometry & MOs

Info

ID:	373541
PubChem CID:	131316690
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	223.05124
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	6.58
IP(EA), eV:	-9.53(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(3-methoxyphenyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=C(SC=N2)C(=O)O

DOS

IR

Vibrations