Geometry & MOs

Info

ID:	152875
PubChem CID:	56311955
Reduced:	F3N3O3C23H26 (1)
Stoich.:	A3B3C3D23E26 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-247.51
Dipole, Da:	3.1
IP(EA), eV:	-8.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations