Geometry & MOs

Info

ID:	389904
PubChem CID:	134995873
Reduced:	NO2C10H21 (1)
Stoich.:	AB2C10D21 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-90.43
Dipole, Da:	3.12
IP(EA), eV:	-9.19(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)N1[C@H](C1(C)C)[C@@H](CO)OC

DOS

IR

Vibrations