Geometry & MOs

Info

ID:	263337
PubChem CID:	103358253
Reduced:	N2O2F3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-245.11
Dipole, Da:	3.88
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethylamino)-6-propylpyridin-4-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)C2=C(C=CC(=C2)C(F)(F)F)N)O

DOS

IR

Vibrations