Geometry & MOs

Info

ID:

396760

PubChem CID:

135029158

Reduced:

O2C5H9 (1)

Stoich.:

A2B5C9 (1)

Weight, g/mol:

328.121178

ΔHf, kcal/mol:

-80.58

Dipole, Da:

1.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757401

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-phenylmethoxyphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)[CH+]C

DOS

IR

Vibrations