Geometry & MOs

Info

ID:	430992
PubChem CID:	135171062
Reduced:	FO2N3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	459.213362
ΔH_f, kcal/mol:	-40.81
Dipole, Da:	2.1
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[[4-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=CCCC(C1)NCC2=CC3=CC=CC=C3O2)C(=O)C4=CC5=C(N4)C=CC(=C5)F

DOS

IR

Vibrations