Geometry & MOs

Info

ID:	168449
PubChem CID:	74969051
Reduced:	O4N5C27H27 (1)
Stoich.:	A4B5C27D27 (1)
Weight, g/mol:	316.05751
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	1.68
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-N-ethyl-3-pyridin-3-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(CC(COC3=CC=CC=C3)C(=O)O)C(=O)NCC4=NNN=N4

DOS

IR

Vibrations