Geometry & MOs

Info

ID:	430840
PubChem CID:	135170907
Reduced:	FO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	1.06
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(1-phenylcyclopropyl)amino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC3=C(O2)C=CC(=C3)F)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations