Geometry & MOs

Info

ID:	160538
PubChem CID:	57388972
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	285.12774
ΔH_f, kcal/mol:	-18.68
Dipole, Da:	6.82
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

Drug info:

PubChemData

Smile

CCOC1=NC=C2CCC3=C(C2=N1)N(N=C3C(=O)N)CCCN(C)C

DOS

IR

Vibrations