Geometry & MOs

Info

ID:	197230
PubChem CID:	78939158
Reduced:	FNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	337.0136
ΔH_f, kcal/mol:	-92.07
Dipole, Da:	4.23
IP(EA), eV:	-8.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C(=CC=C2)F)[C@H](C)O

DOS

IR

Vibrations