Geometry & MOs

Info

ID:	279403
PubChem CID:	103843775
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	304.074533
ΔH_f, kcal/mol:	-114.98
Dipole, Da:	4.14
IP(EA), eV:	-9.54(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC=C(C=C1)C(C)(C)C)CO

DOS

IR

Vibrations