Geometry & MOs

Info

ID:	28764
PubChem CID:	829426
Reduced:	OCl3N3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	-41.31
Dipole, Da:	5.01
IP(EA), eV:	-9.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-3-pyridin-2-ylquinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N[C@@H](C(Cl)(Cl)Cl)N1C=CN=C1

DOS

IR

Vibrations