Geometry & MOs

Info

ID:

172751

PubChem CID:

75547913

Reduced:

FO4N5C23H30 (1)

Stoich.:

AB4C5D23E30 (1)

Weight, g/mol:

459.203717

ΔHf, kcal/mol:

-184.57

Dipole, Da:

3.55

IP(EA), eV:

 -9.3(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methyl]-N-cyclopentyl-4-methyl-1,5-dioxo-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1CCC2C(C1)N3C(NN(C3=O)CC(=O)C4=CC=C(C=C4)F)N(C2=O)C

DOS

IR

Vibrations