Geometry & MOs

Info

ID:	285828
PubChem CID:	104133930
Reduced:	ClON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	4.85
IP(EA), eV:	-8.93(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)NCC2CCN(C2)CC)Cl

DOS

IR

Vibrations