Geometry & MOs

Info

ID:	430716
PubChem CID:	135170783
Reduced:	FON3C27H32 (1)
Stoich.:	ABC3D27E32 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	5.98
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminocyclohexyl)-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NC[C@H]2CCC3=C2C=CC(=C3)F)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations