Geometry & MOs

Info

ID:	13462
PubChem CID:	234180
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-6.46
Dipole, Da:	7.74
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-5-nitroso-6-phenylmethoxyhex-5-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=C(CCCC#N)N=O)O

DOS

IR

Vibrations