Geometry & MOs

Info

ID:	285827
PubChem CID:	104133928
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	309.16079
ΔH_f, kcal/mol:	-132.27
Dipole, Da:	3.55
IP(EA), eV:	-9.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C1=CC(=NC(=C1)Cl)C(C)(C)C

DOS

IR

Vibrations