Geometry & MOs

Info

ID:	328178
PubChem CID:	126693120
Reduced:	PN6O8C28H39 (1)
Stoich.:	AB6C8D28E39 (1)
Weight, g/mol:	239.224915
ΔH_f, kcal/mol:	-314.46
Dipole, Da:	6.39
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol

Drug info:

PubChemData

Smile

CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C=NC)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4

DOS

IR

Vibrations