Geometry & MOs

Info

ID:	280767
PubChem CID:	103851188
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	245.189198
ΔH_f, kcal/mol:	9.56
Dipole, Da:	3.03
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NCC3=CC=CC=C3C#N

DOS

IR

Vibrations