Geometry & MOs

Info

ID:	253082
PubChem CID:	103115928
Reduced:	ON5H11C13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	250.062139
ΔH_f, kcal/mol:	64.59
Dipole, Da:	3.31
IP(EA), eV:	-8.67(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-chlorophenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations