Geometry & MOs

Info

ID:	285895
PubChem CID:	104136693
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-158.38
Dipole, Da:	5.44
IP(EA), eV:	-9.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(ethyl)amino]-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations