Geometry & MOs

Info

ID:	65496
PubChem CID:	46386558
Reduced:	N3O5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	441.132471
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	4.37
IP(EA), eV:	-8.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations