Geometry & MOs

Info

ID:	405602
PubChem CID:	135074618
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	240.151415
ΔH_f, kcal/mol:	2.5
Dipole, Da:	6.66
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-benzylidene-7-prop-2-enylcycloheptan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2(CCCC2)O/C(=C\[N+]#N)/[O-]

DOS

IR

Vibrations