Geometry & MOs

Info

ID:	430966
PubChem CID:	135171036
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	409.19209
ΔH_f, kcal/mol:	50.32
Dipole, Da:	6.28
IP(EA), eV:	-8.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(4-chlorophenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CN3C=NC=C3C=C2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations