Geometry & MOs

Info

ID:	322316
PubChem CID:	126669717
Reduced:	ON3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	198.144222
ΔH_f, kcal/mol:	51.73
Dipole, Da:	1.77
IP(EA), eV:	-8.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(C)C2=CC3=CC=CC=C3C(=C2)C4=CN(N=C4)C

DOS

IR

Vibrations