Geometry & MOs

Info

ID:	242076
PubChem CID:	96025570
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-67.81
Dipole, Da:	6.82
IP(EA), eV:	-9.28(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1R)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C2CCN[C@@H](C2=C(C=C1)C)/C=C/C(=O)O

DOS

IR

Vibrations