Geometry & MOs

Info

ID:	144443
PubChem CID:	53368937
Reduced:	BrON4H13C19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	366.149204
ΔH_f, kcal/mol:	68.24
Dipole, Da:	6.56
IP(EA), eV:	-8.64(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-fluorophenyl)piperazin-1-yl]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)Br

DOS

IR

Vibrations