Geometry & MOs

Info

ID:	285843
PubChem CID:	104133970
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-90.01
Dipole, Da:	5.07
IP(EA), eV:	-9.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCO)C(=O)C1=CC(=NC(=C1)Cl)C(C)(C)C

DOS

IR

Vibrations