Geometry & MOs

Info

ID:	406355
PubChem CID:	135077333
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	408.153266
ΔH_f, kcal/mol:	-101.52
Dipole, Da:	5.31
IP(EA), eV:	-9.92(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-(4-nitrophenyl)methanimine oxide

Drug info:

PubChemData

Smile

C1CCCC2(CC1)CC(C2)(C3=CC(=O)CCC3)O

DOS

IR

Vibrations