Geometry & MOs

Info

ID:	191699
PubChem CID:	78179389
Reduced:	ClON2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	57.47
Dipole, Da:	3.11
IP(EA), eV:	-9.65(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC2C(=O)C=C(N=C2N=C1)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations