Geometry & MOs

Info

ID:	143586
PubChem CID:	53230595
Reduced:	N3O6C8H19 (1)
Stoich.:	A3B6C8D19 (1)
Weight, g/mol:	419.267173
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	5.59
IP(EA), eV:	-8.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7S,7aS)-4a-hydroxy-2,2-dimethyl-5-nonyl-7-phenylmethoxy-7,7a-dihydro-4H-[1,3]dioxino[5,4-b]pyrrol-6-one

Drug info:

PubChemData

Smile

CCNCCCCCCO[N+](=O)[O-].[N+](=O)(O)[O-]

DOS

IR

Vibrations