Geometry & MOs

Info

ID:	242075
PubChem CID:	96025439
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-19.99
Dipole, Da:	2.02
IP(EA), eV:	-8.6(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1R)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)C3=CC(=C(C=C3)C)OC

DOS

IR

Vibrations