Geometry & MOs

Info

ID:	184510
PubChem CID:	77171318
Reduced:	FN3O5C28H28 (1)
Stoich.:	AB3C5D28E28 (1)
Weight, g/mol:	319.139528
ΔH_f, kcal/mol:	-148.59
Dipole, Da:	0.96
IP(EA), eV:	-8.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)N(C(C)C(C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)C(=O)C(=O)O

DOS

IR

Vibrations