Geometry & MOs

Info

ID:	389621
PubChem CID:	134994160
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	143.058243
ΔH_f, kcal/mol:	-23.75
Dipole, Da:	4.56
IP(EA), eV:	-10.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,4E)-4-hydroxyiminobut-2-enyl] acetate

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@@H]([C@H]1C2)C[N+](=O)[O-])C

DOS

IR

Vibrations