Geometry & MOs

Info

ID:	411648
PubChem CID:	135084480
Reduced:	BBrZnO2C9H18 (1)
Stoich.:	ABCD2E9F18 (1)
Weight, g/mol:	229.040675
ΔH_f, kcal/mol:	-178.7
Dipole, Da:	5.96
IP(EA), eV:	-9.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-pyrimidin-2-ylindole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)CC[CH2-].[Zn+]Br

DOS

IR

Vibrations