Geometry & MOs

Info

ID:	392767
PubChem CID:	135017899
Reduced:	O5H12C16 (1)
Stoich.:	A5B12C16 (1)
Weight, g/mol:	393.230394
ΔH_f, kcal/mol:	-133.27
Dipole, Da:	6.5
IP(EA), eV:	-8.88(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]imino]-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]but-2-enoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C=C(C=C3OC)C=O)C(=O)O2

DOS

IR

Vibrations