Geometry & MOs

Info

ID:	37110
PubChem CID:	8017004
Reduced:	NO3C21H34 (1)
Stoich.:	AB3C21D34 (1)
Weight, g/mol:	348.253869
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.823626
Charge, e:	1

Chem-info

IUPAC name:

cyclooctyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OC[C@@H](C[NH2+]C2CCCCCCC2)O)OC

DOS

IR

Vibrations