Geometry & MOs

Info

ID:	70751
PubChem CID:	48413815
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	5.77
IP(EA), eV:	-9.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations