Geometry & MOs

Info

ID:	312368
PubChem CID:	126604464
Reduced:	BrN2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	514.240899
ΔH_f, kcal/mol:	92.19
Dipole, Da:	4.47
IP(EA), eV:	-8.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(11H-cyclohepta[a]naphthalen-6-yl)-1,2-dihydronaphthalen-1-yl]-5-[(Z)-2-(2-methylpyridin-3-yl)ethenyl]pyridine

Drug info:

PubChemData

Smile

C1CC(C2=CC=CCC2C1Br)C3=NC4=C(C=CC5=C4N=CC=C5)C=C3

DOS

IR

Vibrations