Geometry & MOs

Info

ID:	343474
PubChem CID:	127266647
Reduced:	SO4N5C13H19 (1)
Stoich.:	AB4C5D13E19 (1)
Weight, g/mol:	315.125073
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	9.41
IP(EA), eV:	-9.76(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-3-methylimidazol-4-yl)methyl]-2-methyl-5-(2-methylphenyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)S(=O)(=O)NCCN2C=C(N=C2)C(=O)OCC

DOS

IR

Vibrations