Geometry & MOs

Info

ID:	224840
PubChem CID:	85447540
Reduced:	O3C7H8 (1)
Stoich.:	A3B7C8 (1)
Weight, g/mol:	274.087291
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	3.9
IP(EA), eV:	-10.89(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C#CC1CC(CC(=O)O1)O

DOS

IR

Vibrations