Geometry & MOs

Info

ID:	152509
PubChem CID:	56311452
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	493.08624
ΔH_f, kcal/mol:	-130.32
Dipole, Da:	5.63
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations