Geometry & MOs

Info

ID:	156168
PubChem CID:	56369394
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	405.02435
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	9.67
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[1-(2-methylpropyl)indol-5-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(CNC(=O)/C(=C\C2=C(N(C(=C2)C)C(C)COC)C)/C#N)O

DOS

IR

Vibrations