Geometry & MOs

Info

ID:	136422
PubChem CID:	52039776
Reduced:	O3N5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	423.089831
ΔH_f, kcal/mol:	26.45
Dipole, Da:	5.12
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)oxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)OC3=NC=NC(=C3)N4C=CC=N4

DOS

IR

Vibrations