Geometry & MOs

Info

ID:	162701
PubChem CID:	57551480
Reduced:	FNOH12C13 (2)
Stoich.:	ABCD12E13 (2)
Weight, g/mol:	427.06955
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	4.49
IP(EA), eV:	-8.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-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=CC=C(C=C3)C4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations