Geometry & MOs

Info

ID:	285845
PubChem CID:	104133973
Reduced:	ClON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	4.85
IP(EA), eV:	-9.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-ethylpyridin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCN1C(=O)C2=CC(=NC(=C2)Cl)C(C)(C)C

DOS

IR

Vibrations