Geometry & MOs

Info

ID:	38766
PubChem CID:	8137890
Reduced:	NO6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	399.143035
ΔH_f, kcal/mol:	-197.88
Dipole, Da:	9.69
IP(EA), eV:	-9.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

DOS

IR

Vibrations