Geometry & MOs

Info

ID:	195388
PubChem CID:	78680656
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	403.128054
ΔH_f, kcal/mol:	25.02
Dipole, Da:	6.53
IP(EA), eV:	-8.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)C)C)C=NN2C(=NC3=C(C2=O)C=CS3)C

DOS

IR

Vibrations