Geometry & MOs

Info

ID:	437982
PubChem CID:	135227435
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	446.028
ΔH_f, kcal/mol:	44.41
Dipole, Da:	5.06
IP(EA), eV:	-8.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-iodo-3-methyl-10-phenylphenanthro[9,10-b]pyrazine

Drug info:

PubChemData

Smile

C1CNC2=CC3=CC=CC=C3C14C2=CCC5(C4)C(=O)NC(=O)N5

DOS

IR

Vibrations