Geometry & MOs

Info

ID:	437969
PubChem CID:	135227422
Reduced:	PF2N3O3C24H24 (1)
Stoich.:	AB2C3D3E24F24 (1)
Weight, g/mol:	449.136254
ΔH_f, kcal/mol:	-153.93
Dipole, Da:	7.4
IP(EA), eV:	-8.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-[[methyl-[(4-methylpyrimidin-2-yl)methyl]amino]methyl]phenyl] formate

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)C(F)(F)P)C2=CC3=C(C=C2)OC(=O)N(C3)CCC4=NC=CC=N4

DOS

IR

Vibrations