Geometry & MOs

Info

ID:	241428
PubChem CID:	96023395
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	250.057612
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	5.53
IP(EA), eV:	-8.53(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-(1,3-thiazol-5-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](C)N2CCC(CC2)C(=O)NCCCOC

DOS

IR

Vibrations