Geometry & MOs

Info

ID:	434884
PubChem CID:	135175912
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	229.15904
ΔH_f, kcal/mol:	-93.97
Dipole, Da:	3.99
IP(EA), eV:	-8.96(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(dimethylamino)-2-fluoro-1-(4-methylpiperazin-1-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCCN(C)CC(=O)N1CC2CCC(C1)O2

DOS

IR

Vibrations