Geometry & MOs

Info

ID:	413860
PubChem CID:	135086811
Reduced:	BrN3O5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	351.137162
ΔH_f, kcal/mol:	-112.44
Dipole, Da:	2.47
IP(EA), eV:	-8.43(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-phenylethynyl)-N-pyridin-2-ylindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CNC2=CC=CC=C21)C(C(=O)OC)NC(=O)C3=NC4=C(C=C3)C(=CC(=C4OC)Br)OC

DOS

IR

Vibrations