Geometry & MOs

Info

ID:	45374
PubChem CID:	10512255
Reduced:	ClN4C8H13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	201.076534
ΔH_f, kcal/mol:	14.49
Dipole, Da:	4.22
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole

Drug info:

PubChemData

Smile

CCC(C)NC1=C(C(=NC=N1)Cl)N

DOS

IR

Vibrations