Geometry & MOs

Info

ID:	70820
PubChem CID:	48413913
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	340.049381
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	3.63
IP(EA), eV:	-9.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-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=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations