Geometry & MOs

Info

ID:	391004
PubChem CID:	135002158
Reduced:	O2H20C27 (1)
Stoich.:	A2B20C27 (1)
Weight, g/mol:	263.163171
ΔH_f, kcal/mol:	27.19
Dipole, Da:	3.38
IP(EA), eV:	-8.73(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[(Z,1R)-3-deuterio-1-(furan-2-yl)-3-methoxyprop-2-enyl]-3-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations