Geometry & MOs

Info

ID:	430715
PubChem CID:	135170782
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	433.252941
ΔH_f, kcal/mol:	26.85
Dipole, Da:	2.85
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=NO2)C3CC3)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations