Geometry & MOs

Info

ID:	430728
PubChem CID:	135170795
Reduced:	ON3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	393.221641
ΔH_f, kcal/mol:	1.06
Dipole, Da:	4.29
IP(EA), eV:	-8.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4N3)C

DOS

IR

Vibrations