Geometry & MOs

Info

ID:	400686
PubChem CID:	135048766
Reduced:	BNC14H24 (1)
Stoich.:	ABC14D24 (1)
Weight, g/mol:	177.100443
ΔH_f, kcal/mol:	-5.14
Dipole, Da:	5.16
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B(C(C)C)(C(C)C)/C(=C\C=C/C#N)/C(C)C

DOS

IR

Vibrations