Geometry & MOs

Info

ID:	138268
PubChem CID:	52336520
Reduced:	O2N3C8H11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	1.49
IP(EA), eV:	-9.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol

Drug info:

PubChemData

Smile

C[C@@H](CN1C=CN=C1C=O)C(=O)N

DOS

IR

Vibrations