Geometry & MOs

Info

ID:	158866
PubChem CID:	57244114
Reduced:	N2O5C16H24 (1)
Stoich.:	A2B5C16D24 (1)
Weight, g/mol:	369.155178
ΔH_f, kcal/mol:	-198.59
Dipole, Da:	3.58
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(4-ethoxyphenyl)-3-[2-(trifluoromethyl)phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CCCC(CCC)OC(=O)CNC(=O)OC1=C(C=CC=N1)OC

DOS

IR

Vibrations