Geometry & MOs

Info

ID:	303151
PubChem CID:	124489275
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	1.74
IP(EA), eV:	-9.17(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3,4-dihydro-1H-isochromen-1-yl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)[C@H]2C3=CC=CC=C3CCO2

DOS

IR

Vibrations