Geometry & MOs

Info

ID:	65536
PubChem CID:	46386598
Reduced:	ClN3O3H20C25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	415.13322
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	3.73
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations