Geometry & MOs

Info

ID:	228109
PubChem CID:	87563465
Reduced:	ClN3O3C14H20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-97.86
Dipole, Da:	4.08
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1CCN(CC1)C2=NC(=CC(=C2)C(=O)OC)Cl

DOS

IR

Vibrations