Geometry & MOs

Info

ID:	152754
PubChem CID:	56311816
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	5.4
IP(EA), eV:	-8.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=COC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations