Geometry & MOs

Info

ID:	140308
PubChem CID:	52679049
Reduced:	O2N4C14H23 (1)
Stoich.:	A2B4C14D23 (1)
Weight, g/mol:	459.12833
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	4.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924973
Charge, e:	1

Chem-info

IUPAC name:

2-[(2R)-2-(4-bromophenyl)pyrrolidin-1-ium-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=NO1)C2CC2)[NH+]3CCCN(CC3)C(=O)C

DOS

IR

Vibrations