Geometry & MOs

Info

ID:	297144
PubChem CID:	117610314
Reduced:	ClFN2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	376.112425
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	2.48
IP(EA), eV:	-10.1(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-diphenylpyrimidin-2-yl)-6-fluorobenzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)C(=O)N)F)C(=O)N

DOS

IR

Vibrations