Geometry & MOs

Info

ID:	130965
PubChem CID:	51136342
Reduced:	N3O3H19C24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	4.77
IP(EA), eV:	-9.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C1=O)C(C5=CC=CC=C5)O

DOS

IR

Vibrations