Geometry & MOs

Info

ID:	231719
PubChem CID:	87574511
Reduced:	ISO2N3H10C15 (1)
Stoich.:	ABC2D3E10F15 (1)
Weight, g/mol:	407.00878
ΔH_f, kcal/mol:	50.22
Dipole, Da:	4.75
IP(EA), eV:	-9.16(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(1-chloro-6-fluoro-4-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)methyl]pyridine

Drug info:

PubChemData

Smile

C1=CC2=C(NN=C(C2=S)C(=O)OCC3=CC=C(C=C3)I)N=C1

DOS

IR

Vibrations