Geometry & MOs

Info

ID:	297151
PubChem CID:	117610556
Reduced:	ClFN3O3C21H21 (1)
Stoich.:	ABC3D3E21F21 (1)
Weight, g/mol:	422.172083
ΔH_f, kcal/mol:	-113.29
Dipole, Da:	3.48
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-chloro-2-methoxy-5-morpholin-4-ylanilino)acetyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCN(CC1)C(=O)CNC2=C(C=C(C(=C2)C3=CC=C(C=C3)F)Cl)O

DOS

IR

Vibrations