Geometry & MOs

Info

ID:	263425
PubChem CID:	103366458
Reduced:	N2O2F3C9H19 (1)
Stoich.:	A2B2C3D9E19 (1)
Weight, g/mol:	193.082682
ΔH_f, kcal/mol:	-256.78
Dipole, Da:	2.39
IP(EA), eV:	-9.59(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-(pyrazol-1-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

COCCN(CCO)CC(CN)C(F)(F)F

DOS

IR

Vibrations