Geometry & MOs

Info

ID:	198664
PubChem CID:	79132402
Reduced:	NO2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	139.099714
ΔH_f, kcal/mol:	-88.52
Dipole, Da:	3.29
IP(EA), eV:	-10.05(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(hydroxy)methyl]butanenitrile

Drug info:

PubChemData

Smile

CCC(COC)(C1(CCCC1)C#N)O

DOS

IR

Vibrations