Geometry & MOs

Info

ID:	247359
PubChem CID:	103070438
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	69.82
Dipole, Da:	7.37
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CNCC(=C)CN(C)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations