Geometry & MOs

Info

ID:	280670
PubChem CID:	103850629
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-162.92
Dipole, Da:	4.69
IP(EA), eV:	-9.94(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CCC(CCO)NC(=O)[C@H]1CCCO1

DOS

IR

Vibrations