Geometry & MOs

Info

ID:	152497
PubChem CID:	56311436
Reduced:	Cl2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-100.38
Dipole, Da:	6.49
IP(EA), eV:	-8.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-(3-fluoroanilino)-3-oxopropyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations