Geometry & MOs

Info

ID:	313953
PubChem CID:	126619171
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	499.208276
ΔH_f, kcal/mol:	48.16
Dipole, Da:	1.35
IP(EA), eV:	-8.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C(CN1)N=C(C=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations