Geometry & MOs

Info

ID:	264485
PubChem CID:	103463910
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-57.58
Dipole, Da:	2.66
IP(EA), eV:	-9.35(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylbutyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)C1=CC(=CC(=C1)C#CCCO)C

DOS

IR

Vibrations