Geometry & MOs

Info

ID:	198663
PubChem CID:	79132311
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	12.9
Dipole, Da:	2.97
IP(EA), eV:	-9.44(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-1-methoxybutan-2-yl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC1C(C2(CC3=CC=CC=C3C2)C#N)O

DOS

IR

Vibrations