Geometry & MOs

Info

ID:	386607
PubChem CID:	134982302
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	360.154557
ΔH_f, kcal/mol:	-58.13
Dipole, Da:	3.12
IP(EA), eV:	-10.2(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC(=O)OC[C@H]1C[C@H]1/C=C\CCC#N

DOS

IR

Vibrations