Geometry & MOs

Info

ID:	326727
PubChem CID:	126688098
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	437.96877
ΔH_f, kcal/mol:	-175.76
Dipole, Da:	3.51
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-dibenzothiophen-2-yl-2-iodoquinazoline

Drug info:

PubChemData

Smile

CCOC(C1CCN(CC1)CCC2=C(C(=CC=C2)O)C=O)O

DOS

IR

Vibrations