Geometry & MOs

Info

ID:	138754
PubChem CID:	52421249
Reduced:	NOF3C8H15 (1)
Stoich.:	ABC3D8E15 (1)
Weight, g/mol:	195.113353
ΔH_f, kcal/mol:	-172.65
Dipole, Da:	16.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754239
Charge, e:	-1

Chem-info

IUPAC name:

3-(3,5-diethyl-1H-pyrazol-4-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@](C1CC[NH2+]CC1)(C(F)(F)F)O

DOS

IR

Vibrations