Geometry & MOs

Info

ID:	437972
PubChem CID:	135227425
Reduced:	F3N3O3H20C22 (1)
Stoich.:	A3B3C3D20E22 (1)
Weight, g/mol:	417.130026
ΔH_f, kcal/mol:	-190.22
Dipole, Da:	5.29
IP(EA), eV:	-9.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)CN2CC3=C(C=CC(=C3)/C(=C/C=C(\C=C)/OC(F)(F)F)/C)OC2=O

DOS

IR

Vibrations