Geometry & MOs

Info

ID:	312668
PubChem CID:	126607250
Reduced:	O2F3N4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	284.200097
ΔH_f, kcal/mol:	-163.08
Dipole, Da:	7.97
IP(EA), eV:	-9.18(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(1-ethylazepan-4-yl)amino]ethenylamino]benzonitrile

Drug info:

PubChemData

Smile

CN1CCC(C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)C(=O)C(F)(F)F

DOS

IR

Vibrations