Geometry & MOs

Info

ID:	65535
PubChem CID:	46386597
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	445.119319
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	4.19
IP(EA), eV:	-8.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations