Geometry & MOs

Info

ID:	32209
PubChem CID:	6435934
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	509.02364
ΔH_f, kcal/mol:	7.96
Dipole, Da:	6.21
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodoquinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=NC2=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations