Geometry & MOs

Info

ID:

172796

PubChem CID:

75553860

Reduced:

ClO2N5C23H32 (1)

Stoich.:

AB2C5D23E32 (1)

Weight, g/mol:

502.245917

ΔHf, kcal/mol:

-58.87

Dipole, Da:

4.1

IP(EA), eV:

 -8.8(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3,3a,5a,6,7,8,9,9a-decahydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)N(C(=O)C3N2NC(N3)C(=O)N4CCCCC4)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations