Geometry & MOs

Info

ID:	241623
PubChem CID:	96023851
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-18.64
Dipole, Da:	1.71
IP(EA), eV:	-8.83(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC=C(C=C3)CO)C=C1)C

DOS

IR

Vibrations