Geometry & MOs

Info

ID:	440983
PubChem CID:	135232577
Reduced:	O3N6C23H24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	189.126598
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	5.39
IP(EA), eV:	-8.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-1-(propan-2-ylideneamino)prop-1-en-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2C=N1)NC(=O)C3=COC(=N3)C4=CC=CC=C4N)N5CCC(CC5)O

DOS

IR

Vibrations