Geometry & MOs

Info

ID:	430801
PubChem CID:	135170868
Reduced:	FO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	5.49
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=CC=CC=C3O2)C(=O)C4=CC5=C(N4)C=CC(=C5)F

DOS

IR

Vibrations