Geometry & MOs

Info

ID:	128113
PubChem CID:	51031833
Reduced:	O5C18H22 (1)
Stoich.:	A5B18C22 (1)
Weight, g/mol:	249.078979
ΔH_f, kcal/mol:	-187.08
Dipole, Da:	4.97
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-benzoyl-3-phenyloxirane-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCCC1=C2C=C(C=C(C2=CC(=C1OC)OC)O)C(=O)O

DOS

IR

Vibrations