Geometry & MOs

Info

ID:

394428

PubChem CID:

135022984

Reduced:

OC7H9 (1)

Stoich.:

AB7C9 (1)

Weight, g/mol:

302.141913

ΔHf, kcal/mol:

-13.41

Dipole, Da:

1.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.007840

Charge, e:

 0

Chem-info

IUPAC name:

2,6-diphenyl-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(OC(=C)[CH+]1)C

DOS

IR

Vibrations