Geometry & MOs

Info

ID:

172748

PubChem CID:

75547791

Reduced:

O4N6C25H34 (1)

Stoich.:

A4B6C25D34 (1)

Weight, g/mol:

519.284555

ΔHf, kcal/mol:

-133.82

Dipole, Da:

7.71

IP(EA), eV:

 -9.12(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-propan-2-yl-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CCC2C(C1)N3C(NN(C3=O)CC(=O)NCC4=CC=CC=C4)N(C2=O)CC=C

DOS

IR

Vibrations