Geometry & MOs

Info

ID:	160595
PubChem CID:	57389156
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	303.118318
ΔH_f, kcal/mol:	15.26
Dipole, Da:	3.98
IP(EA), eV:	-8.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(difluoromethyl)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC2=NC=C3C(=N2)CCCC3=O

DOS

IR

Vibrations