Geometry & MOs

Info

ID:	152404
PubChem CID:	56311323
Reduced:	FN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	427.210721
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	3.84
IP(EA), eV:	-8.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations