Geometry & MOs

Info

ID:	241649
PubChem CID:	96023927
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	3.12
IP(EA), eV:	-8.78(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]heptanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations