Geometry & MOs

Info

ID:	241142
PubChem CID:	96021495
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	8.7
Dipole, Da:	1.56
IP(EA), eV:	-8.82(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(4-chlorophenoxy)methyl]-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)CNC

DOS

IR

Vibrations