Geometry & MOs

Info

ID:	395213
PubChem CID:	135024924
Reduced:	NOC29H35 (1)
Stoich.:	ABC29D35 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	6.34
Dipole, Da:	3.23
IP(EA), eV:	-8.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(2S,3S)-3-cyclohexyloxiran-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC[C@@H](C=O)[C@H](C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations