Geometry & MOs

Info

ID:	296426
PubChem CID:	117573736
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	-35.06
Dipole, Da:	2.77
IP(EA), eV:	-8.96(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(furan-2-ylmethylamino)methyl]butanenitrile

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C(=O)C)C#N

DOS

IR

Vibrations