Geometry & MOs

Info

ID:	431054
PubChem CID:	135171124
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	400.226312
ΔH_f, kcal/mol:	10.77
Dipole, Da:	7.17
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-5-cyano-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N)C(=O)C2=CC3=C(N2)C=CC(=C3)C#N

DOS

IR

Vibrations