Geometry & MOs

Info

ID:	405001
PubChem CID:	135072111
Reduced:	O2C7H7 (2)
Stoich.:	A2B7C7 (2)
Weight, g/mol:	333.04767
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	3.31
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromopyridin-2-yl)-N-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)([C@@H]1CC2=C(O1)C=CC=C2OC(=O)C#C)O

DOS

IR

Vibrations