Geometry & MOs

Info

ID:	411440
PubChem CID:	135084271
Reduced:	NO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	272.99016
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	2.77
IP(EA), eV:	-11.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-pyrimidin-2-ylindole

Drug info:

PubChemData

Smile

CCCC(=CC#N)C(=O)OC

DOS

IR

Vibrations