Geometry & MOs

Info

ID:	65497
PubChem CID:	46386559
Reduced:	N3O5H19C25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	427.153206
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	4.55
IP(EA), eV:	-8.45(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-(3-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations