Geometry & MOs

Info

ID:	303149
PubChem CID:	124489273
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	4.58
IP(EA), eV:	-9.16(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-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