Geometry & MOs

Info

ID:	380634
PubChem CID:	134971139
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	376.287849
ΔH_f, kcal/mol:	-129.42
Dipole, Da:	2.74
IP(EA), eV:	-9.77(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CCC=C[C@H]1OC)C(=O)OC

DOS

IR

Vibrations