Geometry & MOs

Info

ID:	269951
PubChem CID:	103621166
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	284.097249
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	7.39
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(difluoromethoxy)-6-methoxy-2-propan-2-yl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=O)C2=C(N1)C=CC(=C2)Br

DOS

IR

Vibrations