Geometry & MOs

Info

ID:	273766
PubChem CID:	103799580
Reduced:	NO5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-198.6
Dipole, Da:	4.05
IP(EA), eV:	-9.08(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)NC(CCO)COC)OC

DOS

IR

Vibrations