Geometry & MOs

Info

ID:

177918

PubChem CID:

76252221

Reduced:

ClO2N4C25H27 (1)

Stoich.:

AB2C4D25E27 (1)

Weight, g/mol:

483.270636

ΔHf, kcal/mol:

-4.23

Dipole, Da:

8.27

IP(EA), eV:

 -8.43(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]-7-propan-2-yl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C(C)(C)C)Cl)C

DOS

IR

Vibrations