Geometry & MOs

Info

ID:	296140
PubChem CID:	117557778
Reduced:	ClOSN4H7C8 (1)
Stoich.:	ABCD4E7F8 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	56.58
Dipole, Da:	8.42
IP(EA), eV:	-9.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[butyl(methyl)carbamoyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC2=NN=NS2

DOS

IR

Vibrations