Geometry & MOs

Info

ID:	223507
PubChem CID:	85335140
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	395.339944
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	3.28
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydroxypropyl)-N-octadeca-9,12-dienylpropanamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4C3=NCCC4

DOS

IR

Vibrations