Geometry & MOs

Info

ID:	430849
PubChem CID:	135170916
Reduced:	FN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	375.231063
ΔH_f, kcal/mol:	-122.4
Dipole, Da:	2.87
IP(EA), eV:	-8.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3S)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C3C(=C2)N=C(N3)CC(=O)O)F

DOS

IR

Vibrations