Geometry & MOs

Info

ID:	318162
PubChem CID:	126649217
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	228.051047
ΔH_f, kcal/mol:	18.52
Dipole, Da:	1.46
IP(EA), eV:	-9.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(trifluoromethyl)indole-6-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CO)C(=O)C2=NOC(=C2N3C=CN=N3)C4=CC=CC=C4

DOS

IR

Vibrations