Geometry & MOs

Info

ID:	225271
PubChem CID:	85753024
Reduced:	N3O6C30H43 (1)
Stoich.:	A3B6C30D43 (1)
Weight, g/mol:	388.141592
ΔH_f, kcal/mol:	-115.39
Dipole, Da:	6.95
IP(EA), eV:	-9.27(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-dodecanoyloxy-1-phosphonoethyl)phosphonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(C1=CC=C(C=C1)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations