Geometry & MOs

Info

ID:	285873
PubChem CID:	104134126
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	295.108754
ΔH_f, kcal/mol:	-86.82
Dipole, Da:	5.27
IP(EA), eV:	-9.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-6-ethyl-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations