Geometry & MOs

Info

ID:	377519
PubChem CID:	134223576
Reduced:	SN3H33C46 (1)
Stoich.:	AB3C33D46 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	211.16
Dipole, Da:	3.91
IP(EA), eV:	-8.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(6E)-6-ethylidene-2,3-dihydropyridin-1-yl]methyl]-2-methylpyridine

Drug info:

PubChemData

Smile

C/C=C\C=C(/C)\N1C2=C(C=C(C=C2)C3=CC4=C(C=C3)SC5=C4C=C(C=C5)C6=NC(=NC(=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C91

DOS

IR

Vibrations