Geometry & MOs

Info

ID:	312684
PubChem CID:	126607306
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	298.215747
ΔH_f, kcal/mol:	19.65
Dipole, Da:	3.22
IP(EA), eV:	-8.52(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethenylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1CCN([C@H](C1)C2=NC3=C(N2)C=C(C=C3)C)C

DOS

IR

Vibrations