Geometry & MOs

Info

ID:	437993
PubChem CID:	135227446
Reduced:	F3N3O3H20C23 (1)
Stoich.:	A3B3C3D20E23 (1)
Weight, g/mol:	460.160992
ΔH_f, kcal/mol:	-181.63
Dipole, Da:	3.72
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-[[methyl-[(6-methylpyridin-2-yl)methyl]amino]methyl]phenyl] formate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(F)(F)F)C2=CC3=C(C=C2)OC(=O)N(C3)CC4=NC=CC=NC4

DOS

IR

Vibrations