Geometry & MOs

Info

ID:	232184
PubChem CID:	87575656
Reduced:	IN2O3C6H9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	368.125988
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	2.88
IP(EA), eV:	-9.96(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-2-hydroxybut-2-enoyl]oxypropyl 2-benzoylbenzoate

Drug info:

PubChemData

Smile

C1CCN(C(C1)(C(=O)O)I)N=O

DOS

IR

Vibrations