Geometry & MOs

Info

ID:

172797

PubChem CID:

75553917

Reduced:

ClO3N6C25H35 (1)

Stoich.:

AB3C6D25E35 (1)

Weight, g/mol:

445.224453

ΔHf, kcal/mol:

-105.14

Dipole, Da:

2.25

IP(EA), eV:

 -8.99(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-N-cyclopentyl-7-methyl-4-oxo-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)NCCCN4CCCC4=O)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations