Geometry & MOs

Info

ID:	297190
PubChem CID:	117612276
Reduced:	I2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	262.116486
ΔH_f, kcal/mol:	-18.45
Dipole, Da:	4.31
IP(EA), eV:	-8.69(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(1-hydroxy-3-oxobutan-2-yl)amino]-6-oxohexyl] nitrate

Drug info:

PubChemData

Smile

C=C1CN(CCN1)C(=O)CC2=CC(=C(C(=C2)I)OC3=CC=C(C=C3)O)I

DOS

IR

Vibrations