Geometry & MOs

Info

ID:	27473
PubChem CID:	821509
Reduced:	NSC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	67.43
Dipole, Da:	3.02
IP(EA), eV:	-8.0(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(CC2=NC)SC

DOS

IR

Vibrations