Geometry & MOs

Info

ID:	303138
PubChem CID:	124489260
Reduced:	BrClON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	300.144948
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	4.21
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations