Geometry & MOs

Info

ID:	151859
PubChem CID:	56310677
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	416.16714
ΔH_f, kcal/mol:	-118.88
Dipole, Da:	7.4
IP(EA), eV:	-8.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)C2=CNC(=C2)C(=O)N3CCCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations