Geometry & MOs

Info

ID:	22122
PubChem CID:	596038
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	1.07
IP(EA), eV:	-8.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations