Geometry & MOs

Info

ID:	431066
PubChem CID:	135171136
Reduced:	OSN4C21H26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	17.05
Dipole, Da:	2.74
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(2-methoxypyridin-4-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NC=CS2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations