Geometry & MOs

Info

ID:	243331
PubChem CID:	99218510
Reduced:	BrNOSF3C14H15 (1)
Stoich.:	ABCDE3F14G15 (1)
Weight, g/mol:	372.144948
ΔH_f, kcal/mol:	-159.76
Dipole, Da:	3.07
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC(F)(F)F)C(=O)CCSC2=CC=CC=C2Br

DOS

IR

Vibrations