Geometry & MOs

Info

ID:	383174
PubChem CID:	134974746
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	411.01538
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	1.57
IP(EA), eV:	-9.62(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC#C[C@H](C)[C@@H]([C@H](C)CO)OC

DOS

IR

Vibrations