Geometry & MOs

Info

ID:	338594
PubChem CID:	127259605
Reduced:	N2O4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	6.33
IP(EA), eV:	-9.19(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-benzylideneamino]oxyoctan-2-ol

Drug info:

PubChemData

Smile

CC1=C/C(=C\NC2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C(=C1)C=O

DOS

IR

Vibrations