Geometry & MOs

Info

ID:	160621
PubChem CID:	57389237
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	296.107339
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	4.97
IP(EA), eV:	-9.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC1CC2=NC(=NC=C2C(=O)C1)NC3CCN(CC3)C(=O)C

DOS

IR

Vibrations