Geometry & MOs

Info

ID:	209575
PubChem CID:	80689136
Reduced:	ON2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	237.108897
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	5.1
IP(EA), eV:	-9.23(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)CCCOCC(CNCCC1=NN(C=N1)C)O

DOS

IR

Vibrations