Geometry & MOs

Info

ID:	160594
PubChem CID:	57389155
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	66.61
Dipole, Da:	6.73
IP(EA), eV:	-9.26(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylsulfanylanilino)-7,8-dihydro-6H-quinazolin-5-one

Drug info:

PubChemData

Smile

C1CC12CC3=NC(=NC=C3C(=O)C2)NC4=CC=C(C=C4)C#N

DOS

IR

Vibrations