Geometry & MOs

Info

ID:	303148
PubChem CID:	124489272
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	6.89
Dipole, Da:	4.88
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)C2=C3C=CC=NC3=CC=C2

DOS

IR

Vibrations