Geometry & MOs

Info

ID:	229091
PubChem CID:	87566934
Reduced:	NH2I5C6 (1)
Stoich.:	AB2C5D6 (1)
Weight, g/mol:	489.183461
ΔH_f, kcal/mol:	119.03
Dipole, Da:	1.03
IP(EA), eV:	-8.76(-3.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]-4-methylphenyl]-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1N(I)I)I)I)I

DOS

IR

Vibrations