Geometry & MOs

Info

ID:	152866
PubChem CID:	56311945
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	480.273656
ΔH_f, kcal/mol:	-134.75
Dipole, Da:	7.05
IP(EA), eV:	-8.43(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NCC2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations