Geometry & MOs

Info

ID:	385462
PubChem CID:	134979166
Reduced:	BC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	121.089149
ΔH_f, kcal/mol:	7.06
Dipole, Da:	0.52
IP(EA), eV:	-9.49(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-6-methylhepta-2,4-dienenitrile

Drug info:

PubChemData

Smile

B(C)(C)[C@H]1C[C@@H]2C[C@H]1C=C2

DOS

IR

Vibrations