Geometry & MOs

Info

ID:	71062
PubChem CID:	48414238
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	352.133554
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	4.66
IP(EA), eV:	-9.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorobenzoyl)amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations