Geometry & MOs

Info

ID:	70821
PubChem CID:	48413914
Reduced:	ClON2C7H7 (2)
Stoich.:	ABC2D7E7 (2)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-50.3
Dipole, Da:	2.85
IP(EA), eV:	-9.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations