Geometry & MOs

Info

ID:	65480
PubChem CID:	46386542
Reduced:	FN3O3H20C25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	469.200156
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	5.72
IP(EA), eV:	-9.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations