Geometry & MOs

Info

ID:	380622
PubChem CID:	134971117
Reduced:	ClNC5H12 (2)
Stoich.:	ABC5D12 (2)
Weight, g/mol:	436.308979
ΔH_f, kcal/mol:	-116.66
Dipole, Da:	4.88
IP(EA), eV:	-10.35(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S,6S)-3,6-diethoxy-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine

Drug info:

PubChemData

Smile

CC[C@H]1CC[C@H]([C@H]([C@@H]1[NH3+])[NH3+])CC.[Cl-].[Cl-]

DOS

IR

Vibrations