Geometry & MOs

Info

ID:	241631
PubChem CID:	96023877
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	218.178299
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	6.07
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(C(=CC=C3)Cl)O

DOS

IR

Vibrations