Geometry & MOs

Info

ID:	59885
PubChem CID:	24902207
Reduced:	ClN2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	229.040675
ΔH_f, kcal/mol:	36.3
Dipole, Da:	4.29
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-chloropyrimidin-4-yl)-1H-indole

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations