Geometry & MOs

Info

ID:	27586
PubChem CID:	822337
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-154.07
Dipole, Da:	4.75
IP(EA), eV:	-9.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@@H]2COC3=CC=CC=C3O2

DOS

IR

Vibrations