Geometry & MOs

Info

ID:	146042
PubChem CID:	53627264
Reduced:	F2N2O3H10C12 (1)
Stoich.:	A2B2C3D10E12 (1)
Weight, g/mol:	348.176168
ΔH_f, kcal/mol:	-164.55
Dipole, Da:	1.53
IP(EA), eV:	-9.27(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=C(C=CC=N2)OC(F)F

DOS

IR

Vibrations