Geometry & MOs

Info

ID:	430847
PubChem CID:	135170914
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	48.14
Dipole, Da:	7.71
IP(EA), eV:	-9.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)C#N

DOS

IR

Vibrations