Geometry & MOs

Info

ID:	70990
PubChem CID:	48414150
Reduced:	ClFON5H15C16 (1)
Stoich.:	ABCD5E15F16 (1)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	-1.61
Dipole, Da:	1.97
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations