Geometry & MOs

Info

ID:	233120
PubChem CID:	87692431
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	399.143035
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	2.76
IP(EA), eV:	-8.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylperoxy-4-phenoxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)ON(C2=CC(=C(C(=C2)OC)OC)OC)C3=NC=CC=N3

DOS

IR

Vibrations