Geometry & MOs

Info

ID:	285829
PubChem CID:	104133932
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	283.108754
ΔH_f, kcal/mol:	-34.84
Dipole, Da:	4.61
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-oxobutyl)-2-chloro-6-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)NCC2CCN(C2)C)Cl

DOS

IR

Vibrations