Geometry & MOs

Info

ID:	163688
PubChem CID:	58106671
Reduced:	OScN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-67.49
Dipole, Da:	7.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.183558
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[2-(furan-2-yl)propan-2-yl]pyridine

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC(=C1O)CCN)C2=CC=CC(=N2)[CH].[Sc]

DOS

IR

Vibrations