Geometry & MOs

Info

ID:	430829
PubChem CID:	135170896
Reduced:	ClSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	409.19209
ΔH_f, kcal/mol:	22.9
Dipole, Da:	2.08
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(3-chlorophenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C4=CN=CC=C4

DOS

IR

Vibrations