Geometry & MOs

Info

ID:	313623
PubChem CID:	126616723
Reduced:	FN4H23C28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	364.98182
ΔH_f, kcal/mol:	75.95
Dipole, Da:	4.9
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-6-chloropyridin-2-yl)-1,3-dihydroindene-2-carboxylate

Drug info:

PubChemData

Smile

C1C2=C(CC1(CN)C3=CC=CC(=C3)C4=C5C=CNC5=NC=N4)C=C(C=C2)C6=CC(=CC=C6)F

DOS

IR

Vibrations