Geometry & MOs

Info

ID:	215868
PubChem CID:	85085366
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	179.1674
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	3.18
IP(EA), eV:	-9.4(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodec-3-enenitrile

Drug info:

PubChemData

Smile

CC1=CCC2(C1(CC(=O)CC2)C)C

DOS

IR

Vibrations