Geometry & MOs

Info

ID:	289861
PubChem CID:	104379858
Reduced:	O3N4C7H16 (1)
Stoich.:	A3B4C7D16 (1)
Weight, g/mol:	285.088019
ΔH_f, kcal/mol:	-87.56
Dipole, Da:	5.26
IP(EA), eV:	-8.83(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

COCCNC(=O)CNCC(=NO)N

DOS

IR

Vibrations