Geometry & MOs

Info

ID:	241775
PubChem CID:	96024230
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	218.178299
ΔH_f, kcal/mol:	-118.5
Dipole, Da:	4.1
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CCC(=O)C(=O)O

DOS

IR

Vibrations