Geometry & MOs

Info

ID:	406659
PubChem CID:	135078283
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	235.099714
ΔH_f, kcal/mol:	-52.94
Dipole, Da:	3.85
IP(EA), eV:	-9.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S,3S)-3-phenyloxiran-2-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCCC(=CC1=CC=C(C=C1)C)C(=O)C2=CCCCO2

DOS

IR

Vibrations