Geometry & MOs

Info

ID:	128630
PubChem CID:	51052440
Reduced:	FNCl2O3H20C33 (1)
Stoich.:	ABC2D3E20F33 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	3.46
IP(EA), eV:	-8.35(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclohexen-1-yl)ethylamino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3N2[C@H]([C@@H](C34C(=O)C5=CC=CC=C5C4=O)C6=C(C=C(C=C6)Cl)Cl)C(=O)C7=CC=C(C=C7)F

DOS

IR

Vibrations