Geometry & MOs

Info

ID:	432197
PubChem CID:	135172329
Reduced:	ON9C20H29 (1)
Stoich.:	AB9C20D29 (1)
Weight, g/mol:	290.201082
ΔH_f, kcal/mol:	74.43
Dipole, Da:	5.43
IP(EA), eV:	-8.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-hydroxy-3,12,12-trimethyl-1-oxa-2lambda5-phosphacyclododecane 2-oxide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=NN3C(=NC(=C3C(=C2)NC/C(=N/N(C)N)/N)C(C)C)C

DOS

IR

Vibrations