Geometry & MOs

Info

ID:	158139
PubChem CID:	56463048
Reduced:	ClFON3H19C24 (1)
Stoich.:	ABCD3E19F24 (1)
Weight, g/mol:	403.149619
ΔH_f, kcal/mol:	19.52
Dipole, Da:	3.38
IP(EA), eV:	-9.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations