Geometry & MOs

Info

ID:

172747

PubChem CID:

75547460

Reduced:

O4N6C27H38 (1)

Stoich.:

A4B6C27D38 (1)

Weight, g/mol:

482.264154

ΔHf, kcal/mol:

-161.02

Dipole, Da:

5.56

IP(EA), eV:

 -8.79(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(benzylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2NN(C(=O)N2C3CC(CCC3C1=O)C(=O)NC(C)C)CC4=CC=C(C=C4)N5CCCC5=O

DOS

IR

Vibrations