Geometry & MOs

Info

ID:	296432
PubChem CID:	117573769
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	30.09
Dipole, Da:	3.18
IP(EA), eV:	-8.3(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-benzodioxol-5-ylamino)methyl]-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CCC(CNC1=CC=C(C=C1)C)C#N

DOS

IR

Vibrations