Geometry & MOs

Info

ID:	210036
PubChem CID:	80753491
Reduced:	ClN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	226.121846
ΔH_f, kcal/mol:	60.63
Dipole, Da:	1.96
IP(EA), eV:	-8.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=NC=C3)N

DOS

IR

Vibrations