Geometry & MOs

Info

ID:	134088
PubChem CID:	51640796
Reduced:	OBr2N2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	473.199381
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	3.5
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)[C@@H](C)C(=O)NC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations