Geometry & MOs

Info

ID:	407487
PubChem CID:	135080232
Reduced:	BrOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	220.074896
ΔH_f, kcal/mol:	0.18
Dipole, Da:	4.07
IP(EA), eV:	-9.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diazo-2-phenylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C=CC(=C1CCCCC1)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations