Geometry & MOs

Info

ID:	52153
PubChem CID:	12014947
Reduced:	PN3O4C7H14 (1)
Stoich.:	AB3C4D7E14 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-170.11
Dipole, Da:	2.49
IP(EA), eV:	-9.87(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-methoxy-8,8-dimethylnon-5-enenitrile oxide

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)CN=[N+]=[N-])OCC

DOS

IR

Vibrations