Geometry & MOs

Info

ID:	431262
PubChem CID:	135171333
Reduced:	OSN4C25H28 (1)
Stoich.:	ABC4D25E28 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	31.84
Dipole, Da:	1.48
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(1-benzofuran-2-ylmethylamino)cyclohexyl]-5-cyano-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC3=CC=CC=C3S2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations