Geometry & MOs

Info

ID:	217286
PubChem CID:	85087554
Reduced:	INO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	349.116152
ΔH_f, kcal/mol:	-81.24
Dipole, Da:	5.28
IP(EA), eV:	-9.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-nitrooxypropyl) 2-(6-methoxynaphthalen-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1N2CCCC2(C(=O)O1)CC=CI

DOS

IR

Vibrations