Geometry & MOs

Info

ID:	65517
PubChem CID:	46386579
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	3.97
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC=C4OC

DOS

IR

Vibrations