Geometry & MOs

Info

ID:	230497
PubChem CID:	87571088
Reduced:	Cl2N3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	416.313789
ΔH_f, kcal/mol:	-9.73
Dipole, Da:	8.61
IP(EA), eV:	-9.65(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl (Z)-octadec-9-enoate;propane-1,2,3-triol

Drug info:

PubChemData

Smile

CNC1(CC1)COC2=CC(=C(N=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-].Cl

DOS

IR

Vibrations