Geometry & MOs

Info

ID:	311905
PubChem CID:	126599255
Reduced:	NC5H9 (3)
Stoich.:	AB5C9 (3)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	19.95
Dipole, Da:	3.82
IP(EA), eV:	-8.36(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(methoxymethyl)-2-(3-methylpent-4-en-2-yl)-4-propoxyoxolan-3-ol

Drug info:

PubChemData

Smile

CC=N/C(=C(\C(=N)C)/N)/CCCC(C=C)C(C)C

DOS

IR

Vibrations