Geometry & MOs

Info

ID:	170974
PubChem CID:	75307328
Reduced:	N3O5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	951.898261
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	7.9
IP(EA), eV:	-8.82(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,3-bis(octadeca-9,12-dienoxy)propoxy]-N,N-dimethyl-3-octadeca-9,12-dienoxybutan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C3N=CC(=N3)C(C(C(CO)O)O)O)NO2

DOS

IR

Vibrations