Geometry & MOs

Info

ID:	303154
PubChem CID:	124489278
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	4.11
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)C2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations