Geometry & MOs

Info

ID:

215073

PubChem CID:

85084105

Reduced:

SiO9C38H60 (1)

Stoich.:

AB9C38D60 (1)

Weight, g/mol:

689.268826

ΔHf, kcal/mol:

-463.4

Dipole, Da:

5.59

IP(EA), eV:

 -8.86(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)phenyl]methyl 8-benzyl-4,7-dioxo-3-(3-phenylpropyl)-6-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC(CC(CC(CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OCOC)OCOC)OC(=O)C(C)(C)C

DOS

IR

Vibrations