Geometry & MOs

Info

ID:	241625
PubChem CID:	96023860
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	2.9
IP(EA), eV:	-8.96(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations