Geometry & MOs

Info

ID:	241792
PubChem CID:	96024283
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-70.01
Dipole, Da:	4.15
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations