Geometry & MOs

Info

ID:	130966
PubChem CID:	51136343
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-149.26
Dipole, Da:	5.4
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N-(1-hydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide

Drug info:

PubChemData

Smile

CCC(C)(C(CO)NC(=O)/C(=C/C=C/C)/C)O

DOS

IR

Vibrations