Geometry & MOs

Info

ID:	242071
PubChem CID:	96025364
Reduced:	NC19H23 (1)
Stoich.:	AB19C23 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	14.08
Dipole, Da:	0.99
IP(EA), eV:	-8.69(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[(1S)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methylbutyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H]2C3=C(C=CC(=C3CCN2)C)C)C

DOS

IR

Vibrations