Geometry & MOs

Info

ID:	65485
PubChem CID:	46386547
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	455.148121
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	5.86
IP(EA), eV:	-9.08(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations