Geometry & MOs

Info

ID:	241798
PubChem CID:	96024300
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	1.7
IP(EA), eV:	-8.63(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@@H]3C[C@H](CN3)O)C=C1)C

DOS

IR

Vibrations