Geometry & MOs

Info

ID:	314708
PubChem CID:	126622793
Reduced:	FNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	249.128427
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	4.96
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-cyclohexyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1CCNC2=O)C3=CC=CC=C3F

DOS

IR

Vibrations