Geometry & MOs

Info

ID:	371577
PubChem CID:	131269059
Reduced:	NF3H8C9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	217.071448
ΔH_f, kcal/mol:	-121.01
Dipole, Da:	5.41
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(trifluoromethoxy)-2,3-dihydro-1H-indole

Drug info:

PubChemData

Smile

CC1CC2=C(C(=C(C=C2N1)F)F)F

DOS

IR

Vibrations