Geometry & MOs

Info

ID:	163595
PubChem CID:	58085314
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	316.02113
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	5.18
IP(EA), eV:	-9.61(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C=C1CC(OC1=O)C2=CC=C(C=C2)COCO

DOS

IR

Vibrations