Geometry & MOs

Info

ID:	26264
PubChem CID:	642838
Reduced:	BrNH14C18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	197.084064
ΔH_f, kcal/mol:	81.66
Dipole, Da:	2.43
IP(EA), eV:	-8.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-pyridin-2-ylethenyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations