Geometry & MOs

Info

ID:	317380
PubChem CID:	126636940
Reduced:	O3C9H20 (1)
Stoich.:	A3B9C20 (1)
Weight, g/mol:	404.16746
ΔH_f, kcal/mol:	-166.99
Dipole, Da:	3.61
IP(EA), eV:	-10.01(1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-[(3R)-5-bromo-3-butoxypentyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine

Drug info:

PubChemData

Smile

CCCCOC(CCO)CCO

DOS

IR

Vibrations