Geometry & MOs

Info

ID:	65482
PubChem CID:	46386544
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	6.14
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations