Geometry & MOs

Info

ID:	241727
PubChem CID:	96024110
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	7.03
IP(EA), eV:	-9.07(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations