Geometry & MOs

Info

ID:	48922
PubChem CID:	11528481
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-181.74
Dipole, Da:	1.22
IP(EA), eV:	-10.28(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S)-4-(methoxymethoxy)-6-methylhept-2-en-1-ol

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)[C@H](CO)O)C=C)C

DOS

IR

Vibrations