Geometry & MOs

Info

ID:	199285
PubChem CID:	79226442
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	274.139137
ΔH_f, kcal/mol:	30.77
Dipole, Da:	4.01
IP(EA), eV:	-8.85(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol

Drug info:

PubChemData

Smile

C1CC1N(CCC#N)CC2COC3=CC=CC=C23

DOS

IR

Vibrations