Geometry & MOs

Info

ID:	52314
PubChem CID:	12015141
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	137.084064
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	5.13
IP(EA), eV:	-9.97(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2R,3R)-3-methyloxiran-2-yl]pent-2-enenitrile

Drug info:

PubChemData

Smile

CC\1(CCCC(/C1=C\CC#N)(C)O)C

DOS

IR

Vibrations