Geometry & MOs

Info

ID:	296428
PubChem CID:	117573740
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	34.8
Dipole, Da:	3.53
IP(EA), eV:	-9.23(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-benzodioxol-5-ylmethylamino)methyl]butanenitrile

Drug info:

PubChemData

Smile

CCC(CNC(C)C1=CC=CC=C1)C#N

DOS

IR

Vibrations