Geometry & MOs

Info

ID:	159889
PubChem CID:	57288859
Reduced:	ClN3O5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	430.40221
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	2.92
IP(EA), eV:	-9.62(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-octadecoxypropan-2-yloxy)propoxy]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)NC(C)C(=O)C1=CC=CN1CC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations