Geometry & MOs

Info

ID:	70855
PubChem CID:	48413956
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-45.31
Dipole, Da:	3.36
IP(EA), eV:	-9.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations