Geometry & MOs

Info

ID:	398819
PubChem CID:	135035597
Reduced:	FNC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-22.23
Dipole, Da:	2.52
IP(EA), eV:	-8.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2-[(1R,5S)-5-tert-butyl-2-oxocyclohexyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)[C@H]3C[C@@H]3C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations