Geometry & MOs

Info

ID:	247357
PubChem CID:	103070426
Reduced:	F3N3C13H24 (1)
Stoich.:	A3B3C13D24 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	-160.28
Dipole, Da:	3.38
IP(EA), eV:	-8.82(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1CCN(CC1)CC(F)(F)F

DOS

IR

Vibrations