Geometry & MOs

Info

ID:	153090
PubChem CID:	56312223
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	419.141197
ΔH_f, kcal/mol:	-123.36
Dipole, Da:	3.85
IP(EA), eV:	-8.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations