Geometry & MOs

Info

ID:	55046
PubChem CID:	17389698
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	209.101606
ΔH_f, kcal/mol:	-139.53
Dipole, Da:	3.8
IP(EA), eV:	-8.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5,7-difluoro-1H-indole

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

DOS

IR

Vibrations