Geometry & MOs

Info

ID:	285844
PubChem CID:	104133971
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	-40.14
Dipole, Da:	5.66
IP(EA), eV:	-9.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butyl-6-chloropyridin-4-yl)-(2-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N2CCCC2C)Cl

DOS

IR

Vibrations