Geometry & MOs

Info

ID:	347955
PubChem CID:	127273017
Reduced:	BrO2N4C16H25 (1)
Stoich.:	AB2C4D16E25 (1)
Weight, g/mol:	350.192961
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	4.46
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CCN1C=C(C=CC1=O)Br)N2CCN(CC2)C

DOS

IR

Vibrations