Geometry & MOs

Info

ID:	198660
PubChem CID:	79131888
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	3.31
IP(EA), eV:	-9.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C2(CCCCCC2)C#N)O)C

DOS

IR

Vibrations