Geometry & MOs

Info

ID:	36930
PubChem CID:	8014993
Reduced:	NO8C21H21 (1)
Stoich.:	AB8C21D21 (1)
Weight, g/mol:	294.100442
ΔH_f, kcal/mol:	-290.49
Dipole, Da:	6.55
IP(EA), eV:	-9.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations