Geometry & MOs

Info

ID:	247358
PubChem CID:	103070433
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	68.99
Dipole, Da:	8.79
IP(EA), eV:	-8.21(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations