Geometry & MOs

Info

ID:	377837
PubChem CID:	134223902
Reduced:	NOBr2H13C18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	517.19026
ΔH_f, kcal/mol:	42.57
Dipole, Da:	1.29
IP(EA), eV:	-9.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E)-5-[(5Z,8Z)-7-methylidene-12H-pyrido[2,3-c]azecin-2-yl]-7-(1H-1,10-phenanthrolin-2-ylidene)quinolin-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=CC=C2Br)C3=NC(=CC=C3)Br

DOS

IR

Vibrations