Geometry & MOs

Info

ID:	298575
PubChem CID:	117651283
Reduced:	ClN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	346.300068
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	8.57
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[butyl(octyl)phosphoryl]oxyoctane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)[N+](=O)[O-])NC2=CC=C(C=C2)OC

DOS

IR

Vibrations