Geometry & MOs

Info

ID:	303122
PubChem CID:	124489237
Reduced:	BrON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	272.113648
ΔH_f, kcal/mol:	-15.95
Dipole, Da:	4.81
IP(EA), eV:	-9.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations