Geometry & MOs

Info

ID:	391007
PubChem CID:	135002181
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	236.156501
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	3.77
IP(EA), eV:	-8.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-6-(2-phenylethynyl)bicyclo[3.1.0]hex-2-ene

Drug info:

PubChemData

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C[C@@]12[C@@H](C(=CC1=O)C3CC3)C4=C(N2)C=CC(=C4)OC

DOS

IR

Vibrations