Geometry & MOs

Info

ID:	241942
PubChem CID:	96024731
Reduced:	NS2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	4.61
Dipole, Da:	1.76
IP(EA), eV:	-8.38(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3SCCCS3)C=C1)C

DOS

IR

Vibrations