Geometry & MOs

Info

ID:	149748
PubChem CID:	53789424
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	410.199428
ΔH_f, kcal/mol:	-103.07
Dipole, Da:	2.07
IP(EA), eV:	-10.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-phenylbut-1-enyl)-2-(2-propoxyphenyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC(C(=O)OC1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations