Geometry & MOs

Info

ID:	296429
PubChem CID:	117573742
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	3.47
IP(EA), eV:	-8.75(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-phenylethylamino)methyl]butanenitrile

Drug info:

PubChemData

Smile

CCC(CNCC1=CC2=C(C=C1)OCO2)C#N

DOS

IR

Vibrations