Geometry & MOs

Info

ID:	383871
PubChem CID:	134975898
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	2.92
IP(EA), eV:	-9.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-azido-5-hydroxypent-2-enoate

Drug info:

PubChemData

Smile

CCCCC(C)(C1=CC=CC=C1)C(=O)C(=O)OCC

DOS

IR

Vibrations