Geometry & MOs

Info

ID:	326239
PubChem CID:	126687217
Reduced:	FIN3C24H39 (1)
Stoich.:	ABC3D24E39 (1)
Weight, g/mol:	213.209264
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	3.62
IP(EA), eV:	-9.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine

Drug info:

PubChemData

Smile

CCC[C@@H](CC)CC(=N)C(=N[C@@H](C)CCCC1=CC(CN=C1C=C)F)C(C)(C)I

DOS

IR

Vibrations