Geometry & MOs

Info

ID:	379898
PubChem CID:	134964145
Reduced:	N2O4C9H11 (1)
Stoich.:	A2B4C9D11 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-72.02
Dipole, Da:	0.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.925164
Charge, e:	0

Chem-info

IUPAC name:

[(5R,7R)-7-amino-5-hydroxyoct-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

CCO/C(=C(/[C@H](C1=CC=CO1)O)\[N+]#N)/O

DOS

IR

Vibrations