Geometry & MOs

Info

ID:	65532
PubChem CID:	46386594
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	5.13
IP(EA), eV:	-9.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC(=C1)C2=NC=CC(=N2)OC3=CC=CC(=C3)OC

DOS

IR

Vibrations