Geometry & MOs

Info

ID:	323956
PubChem CID:	126676669
Reduced:	ON8C20H24 (1)
Stoich.:	AB8C20D24 (1)
Weight, g/mol:	457.161326
ΔH_f, kcal/mol:	79.37
Dipole, Da:	4.37
IP(EA), eV:	-8.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[2-(trifluoromethoxy)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal

Drug info:

PubChemData

Smile

COC1=NC=CC2=C1C=C(C=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations