Geometry & MOs

Info

ID:	228054
PubChem CID:	87563289
Reduced:	OC12H12 (2)
Stoich.:	AB12C12 (2)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	0.26
IP(EA), eV:	-8.73(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-3-methoxypyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(/C(=C/C)/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)O.C1=CC=CC=C1

DOS

IR

Vibrations