Geometry & MOs

Info

ID:	437988
PubChem CID:	135227441
Reduced:	ClFO2N3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	5.85
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-phenoxyphenyl)-2-[1-(pyrimidin-2-ylmethylamino)ethyl]phenyl] formate

Drug info:

PubChemData

Smile

C/C=C(\C(=C/C(C)C1=CC2=C(C=C1)OC(=O)N(C2)CC3=NC=CC=N3)\F)/Cl

DOS

IR

Vibrations