Geometry & MOs

Info

ID:	230455
PubChem CID:	87570937
Reduced:	N4O6C10H11 (1)
Stoich.:	A4B6C10D11 (1)
Weight, g/mol:	549.548481
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	5.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765570
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(E)-octadec-9-enyl]octadecanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])NCCCNC(=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations