Geometry & MOs

Info

ID:	340485
PubChem CID:	127262496
Reduced:	N3O4H9C11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	252.074621
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	11.53
IP(EA), eV:	-10.42(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4-nitrophenyl)methyl azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)OC2=CC(=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations