Geometry & MOs

Info

ID:	321314
PubChem CID:	126665764
Reduced:	O2F3N5H30C36 (1)
Stoich.:	A2B3C5D30E36 (1)
Weight, g/mol:	250.146999
ΔH_f, kcal/mol:	-39.09
Dipole, Da:	3.31
IP(EA), eV:	-8.75(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-cyclopropyl-1-pyridin-3-ylprop-1-enyl]aniline

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC=C2OCC3=CC=CC=C3)NCC4=CC(=CC=C4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)C#N)C(F)(F)F

DOS

IR

Vibrations