Geometry & MOs

Info

ID:	190533
PubChem CID:	78016511
Reduced:	ON3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	382.262028
ΔH_f, kcal/mol:	24.02
Dipole, Da:	0.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.093273
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-[5-ethyl-6-(2-methoxy-6-propan-2-ylpyridin-3-yl)-2-methylpyridin-3-yl]pent-3-en-1-ol

Drug info:

PubChemData

Smile

C[N+]1=CC=CC=C1C=NN2CCOCC2

DOS

IR

Vibrations