Geometry & MOs

Info

ID:	65554
PubChem CID:	46386617
Reduced:	ClN3O4H20C25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	461.114234
ΔH_f, kcal/mol:	-44.01
Dipole, Da:	6.67
IP(EA), eV:	-8.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations