Geometry & MOs

Info

ID:

313914

PubChem CID:

126618923

Reduced:

N3O5F6C29H29 (1)

Stoich.:

A3B5C6D29E29 (1)

Weight, g/mol:

499.208276

ΔHf, kcal/mol:

-457.98

Dipole, Da:

4.44

IP(EA), eV:

 -8.75(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-4-[2-[4-[[4-methyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COC2=CC=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations