Geometry & MOs

Info

ID:	385739
PubChem CID:	134979872
Reduced:	NOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	146.10955
ΔH_f, kcal/mol:	31.5
Dipole, Da:	1.85
IP(EA), eV:	-9.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7R)-tetracyclo[5.4.0.02,9.08,10]undec-4-ene

Drug info:

PubChemData

Smile

C1CC(CC1=O)(CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

DOS

IR

Vibrations