Geometry & MOs

Info

ID:	396590
PubChem CID:	135028808
Reduced:	FON2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	272.076119
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	1.72
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-2-phenyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N3CC4=C(C3=N2)C=CC(=C4)F

DOS

IR

Vibrations