Geometry & MOs

Info

ID:	372039
PubChem CID:	131288753
Reduced:	BrN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	170.069142
ΔH_f, kcal/mol:	-21.14
Dipole, Da:	7.66
IP(EA), eV:	-9.84(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[cyano(hydroxy)methyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C3=NN=CN3C(=C2)Br)C(=O)O

DOS

IR

Vibrations