Geometry & MOs

Info

ID:	382773
PubChem CID:	134974108
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	477.311718
ΔH_f, kcal/mol:	-198.89
Dipole, Da:	2.11
IP(EA), eV:	-8.69(0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-ethoxy-5-ethyl-4-methoxy-3-[[3-methyl-4-(3-methylpyridin-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]hexan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)C)OCC)C(CC)CCCOC(=O)C

DOS

IR

Vibrations