Geometry & MOs

Info

ID:	162702
PubChem CID:	57551483
Reduced:	BrFON3H19C21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	383.120068
ΔH_f, kcal/mol:	-31.7
Dipole, Da:	1.17
IP(EA), eV:	-8.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=CC4=C(N3)C=C(C=C4)Br

DOS

IR

Vibrations