Geometry & MOs

Info

ID:	297149
PubChem CID:	117610534
Reduced:	FH2N2C8 (2)
Stoich.:	AB2C2D8 (2)
Weight, g/mol:	371.080347
ΔH_f, kcal/mol:	92.24
Dipole, Da:	0.1
IP(EA), eV:	-10.93(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4,5-dichloro-2-(hydroxymethyl)anilino]acetyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)F)C#N)C2=CC(=C(C(=C2)C#N)F)C#N

DOS

IR

Vibrations