Geometry & MOs

Info

ID:	390644
PubChem CID:	135000125
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	242.167065
ΔH_f, kcal/mol:	43.05
Dipole, Da:	3.43
IP(EA), eV:	-9.16(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-cyclohexyl-3-[(E)-1-phenylprop-1-en-2-yl]oxirane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C#C[C@@H](C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations