Geometry & MOs

Info

ID:	297752
PubChem CID:	117629149
Reduced:	ClON5H8C11 (1)
Stoich.:	ABC5D8E11 (1)
Weight, g/mol:	403.125609
ΔH_f, kcal/mol:	42.98
Dipole, Da:	2.34
IP(EA), eV:	-9.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=NC(=O)C3=C(N2)N=CN3)Cl

DOS

IR

Vibrations