Geometry & MOs

Info

ID:	431075
PubChem CID:	135171145
Reduced:	OSN7C25H31 (1)
Stoich.:	ABC7D25E31 (1)
Weight, g/mol:	421.218784
ΔH_f, kcal/mol:	52.44
Dipole, Da:	10.37
IP(EA), eV:	-7.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(3-methylsulfanylphenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C\4/CN=C5C(=C4NC6CCN(CC6)C=O)C=CS5)/N3

DOS

IR

Vibrations