Geometry & MOs

Info

ID:	407627
PubChem CID:	135080376
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	123.068414
ΔH_f, kcal/mol:	31.72
Dipole, Da:	1.49
IP(EA), eV:	-8.7(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxiran-2-yl)pent-2-enenitrile

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2CN1CC=C

DOS

IR

Vibrations