Geometry & MOs

Info

ID:

229020

PubChem CID:

87566793

Reduced:

Si2N5O6C52H59 (1)

Stoich.:

A2B5C6D52E59 (1)

Weight, g/mol:

457.195267

ΔHf, kcal/mol:

-123.08

Dipole, Da:

8.81

IP(EA), eV:

 -7.65(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-cyclohexylethyl)-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)([C@H](CNCC1=CC=C(C=C1)NC(=O)CCN2CC[C@H](C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C5=C6C=CC(=O)NC6=C(C=C5)OCC7=CC=CC=C7)C(O[Si]C)O[Si]C

DOS

IR

Vibrations