Geometry & MOs

Info

ID:	190563
PubChem CID:	78021121
Reduced:	N4O6C29H30 (1)
Stoich.:	A4B6C29D30 (1)
Weight, g/mol:	475.210721
ΔH_f, kcal/mol:	-118.08
Dipole, Da:	6.72
IP(EA), eV:	-8.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-acetylpiperidine-1-carbonyl)-2-hydroxyanilino]-4-(1-phenylpropylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC2C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5

DOS

IR

Vibrations