Geometry & MOs

Info

ID:	65504
PubChem CID:	46386566
Reduced:	N3O5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	433.123798
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	3.4
IP(EA), eV:	-8.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-difluorophenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC=C4OC)OC

DOS

IR

Vibrations