Geometry & MOs

Info

ID:	435239
PubChem CID:	135185871
Reduced:	ClF2N4H11C15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	229.040675
ΔH_f, kcal/mol:	5.29
Dipole, Da:	3.6
IP(EA), eV:	-9.31(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-pyrimidin-5-yl-1H-indole

Drug info:

PubChemData

Smile

C1CC1N2C3=C(C=CC(=C3)Cl)N=C2C4=CN=CN=C4C(F)F

DOS

IR

Vibrations