Geometry & MOs

Info

ID:	327859
PubChem CID:	126691175
Reduced:	OC20H40 (1)
Stoich.:	AB20C40 (1)
Weight, g/mol:	139.099714
ΔH_f, kcal/mol:	-130.72
Dipole, Da:	1.95
IP(EA), eV:	-9.41(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,4R)-4-methyloxan-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CCCCCCC[C@@](C)(CCCCC)C1CCO[C@@H](C1)C

DOS

IR

Vibrations