Geometry & MOs

Info

ID:	241967
PubChem CID:	96024842
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	4.81
IP(EA), eV:	-8.99(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-5-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=C(C(=CC=C3)O)[N+](=O)[O-])C=C1)C

DOS

IR

Vibrations