Geometry & MOs

Info

ID:	411431
PubChem CID:	135084262
Reduced:	O2N3C5H6 (1)
Stoich.:	A2B3C5D6 (1)
Weight, g/mol:	302.00548
ΔH_f, kcal/mol:	32.28
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783716
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(4-methoxyphenyl)pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CCO/C(=C(/[N+]#[C-])\[N+]#N)/O

DOS

IR

Vibrations