Geometry & MOs

Info

ID:

151104

PubChem CID:

53790802

Reduced:

N4O6H40C49 (1)

Stoich.:

A4B6C40D49 (1)

Weight, g/mol:

469.158641

ΔHf, kcal/mol:

-19.95

Dipole, Da:

4.54

IP(EA), eV:

 -8.56(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-8-[[6-[2-(tetrazol-1-yl)phenyl]-4H-pyrimidin-3-yl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=C(C=C3C=CC(=CC3=C2)C(=O)NC4=CC=C(C=C4)CC5=CC=C(C=C5)NOCC6=CC7=CC(=C(C=C7C=C6)O)CONC8=CC=CC=C8)O

DOS

IR

Vibrations