Geometry & MOs

Info

ID:	207196
PubChem CID:	80358695
Reduced:	OCl2N4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	6.71
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-methylpyrazol-3-yl)-2-(3-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC)N1C2=CC(=C(C=C2N=C1N)Cl)Cl

DOS

IR

Vibrations