Geometry & MOs

Info

ID:

237499

PubChem CID:

92719386

Reduced:

ClO3N5C25H26 (1)

Stoich.:

AB3C5D25E26 (1)

Weight, g/mol:

459.22704

ΔHf, kcal/mol:

-50.05

Dipole, Da:

2.5

IP(EA), eV:

 -8.97(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (7R)-5-methyl-7-(4-methylphenyl)-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@H]1C3=CC=C(C=C3)C)CC(=O)NC4=CC(=C(C=C4)C)Cl)C

DOS

IR

Vibrations