Geometry & MOs

Info

ID:	152508
PubChem CID:	56311451
Reduced:	O4N5C26H27 (1)
Stoich.:	A4B5C26D27 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	3.45
IP(EA), eV:	-8.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NN=C(O2)C3=C(ON=C3C4=CC=CC=C4)C)C5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations