Geometry & MOs

Info

ID:	234426
PubChem CID:	92298412
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	3.46
IP(EA), eV:	-9.5(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]([C@@H]([C@@H](O1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations