Geometry & MOs

Info

ID:	253144
PubChem CID:	103116300
Reduced:	ON6H10C12 (1)
Stoich.:	AB6C10D12 (1)
Weight, g/mol:	264.077789
ΔH_f, kcal/mol:	74.14
Dipole, Da:	0.73
IP(EA), eV:	-8.55(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-5-chloro-2-methylphenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations