Geometry & MOs

Info

ID:	144440
PubChem CID:	53368801
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	44.72
Dipole, Da:	5.78
IP(EA), eV:	-8.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-ylmethylamino)-4-(2-piperazin-1-ylethylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)C3=O)NCC4=CC=NC=C4

DOS

IR

Vibrations