Geometry & MOs

Info

ID:	241644
PubChem CID:	96023913
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	3.72
IP(EA), eV:	-8.81(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@H](CC(C)C)NC(=O)C)C=C1)C

DOS

IR

Vibrations