Geometry & MOs

Info

ID:	326678
PubChem CID:	126687991
Reduced:	IN2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	381.84639
ΔH_f, kcal/mol:	78.26
Dipole, Da:	5.06
IP(EA), eV:	-9.78(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diiodoquinazoline

Drug info:

PubChemData

Smile

CC1=CC2=CN=NC=C2C=C1I

DOS

IR

Vibrations