Geometry & MOs

Info

ID:	144439
PubChem CID:	53368767
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	52.96
Dipole, Da:	7.34
IP(EA), eV:	-8.58(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzylpiperazin-1-yl)-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations