Geometry & MOs

Info

ID:	146976
PubChem CID:	53776894
Reduced:	N2O2H18C21 (1)
Stoich.:	A2B2C18D21 (1)
Weight, g/mol:	372.360345
ΔH_f, kcal/mol:	29.22
Dipole, Da:	5.27
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-heptan-3-ylhexadecane-1,8,16-triol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(=N)OC3=C2CCC4=CC=CC=C43)C#N

DOS

IR

Vibrations