Geometry & MOs

Info

ID:	184391
PubChem CID:	77155004
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	349.150093
ΔH_f, kcal/mol:	-180.12
Dipole, Da:	5.44
IP(EA), eV:	-9.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-(4,4,4-trifluoro-1-hydroxy-3-phenylmethoxybutan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N(C(CC2OC(=O)C3=CC=CC=C3)C)C(=O)C

DOS

IR

Vibrations