Geometry & MOs

Info

ID:	241648
PubChem CID:	96023925
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-117.09
Dipole, Da:	3.02
IP(EA), eV:	-8.96(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]heptanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations