Geometry & MOs

Info

ID:	326736
PubChem CID:	126688110
Reduced:	O2N3C10H20 (2)
Stoich.:	A2B3C10D20 (2)
Weight, g/mol:	421.99161
ΔH_f, kcal/mol:	-208.89
Dipole, Da:	3.61
IP(EA), eV:	-9.46(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-dibenzofuran-1-yl-2-iodoquinazoline

Drug info:

PubChemData

Smile

CC(C)CNC(=O)[C@H]([C@@H](CCC(=O)NCCN=C(CCCCCCC(=N)N)N)O)O

DOS

IR

Vibrations