Geometry & MOs

Info

ID:	430722
PubChem CID:	135170789
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	419.237291
ΔH_f, kcal/mol:	16.19
Dipole, Da:	3.09
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CN=C(N=C2)C)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations