Geometry & MOs

Info

ID:	228419
PubChem CID:	87564334
Reduced:	ION2H17C23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	111.28
Dipole, Da:	7.4
IP(EA), eV:	-9.39(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-cyclopropyl-2-methoxypyridin-3-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3I)N4C=C(N=C4)C=O

DOS

IR

Vibrations