Geometry & MOs

Info

ID:	430967
PubChem CID:	135171037
Reduced:	ClON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	407.17644
ΔH_f, kcal/mol:	-3.48
Dipole, Da:	3.45
IP(EA), eV:	-8.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-chlorophenyl)methylamino]cyclohex-3-en-1-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations