Geometry & MOs

Info

ID:	320606
PubChem CID:	126662016
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	526.388291
ΔH_f, kcal/mol:	46.02
Dipole, Da:	1.29
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-ethyl-5-[4-[[1-(5-ethyl-1,2,3,4-tetrahydropyrimidin-2-yl)piperidin-4-yl]methoxy]cyclohexa-2,4-dien-1-yl]-1-(4-hydroxypiperidin-1-yl)hex-4-en-1-one

Drug info:

PubChemData

Smile

C1C[C@H]2C=C/C=C\C(=C[C@H]2C1)O

DOS

IR

Vibrations