Geometry & MOs

Info

ID:	386323
PubChem CID:	134981394
Reduced:	PdN4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	101.18
Dipole, Da:	4.76
IP(EA), eV:	-7.18(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-[(E)-hept-1-enyl]oxiran-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)N/C=C\NC(C)(C)C.C(=C/C#N)\C#N.[Pd]

DOS

IR

Vibrations