Geometry & MOs

Info

ID:	219511
PubChem CID:	85148778
Reduced:	NO7C30H33 (1)
Stoich.:	AB7C30D33 (1)
Weight, g/mol:	519.213613
ΔH_f, kcal/mol:	-246.0
Dipole, Da:	8.36
IP(EA), eV:	-8.36(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-(3-benzoylphenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(CC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NCCC(=O)O)C(=O)O)OC

DOS

IR

Vibrations