Geometry & MOs

Info

ID:

169554

PubChem CID:

75119990

Reduced:

ClO4N6C25H27 (1)

Stoich.:

AB4C6D25E27 (1)

Weight, g/mol:

504.248504

ΔHf, kcal/mol:

-83.78

Dipole, Da:

2.51

IP(EA), eV:

 -8.97(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4CC(=O)N(C4)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations