Geometry & MOs

Info

ID:	430799
PubChem CID:	135170866
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	411.212219
ΔH_f, kcal/mol:	-20.88
Dipole, Da:	6.96
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N)C(=O)CNC2=C(C=C(C=C2)[N+](=O)[O-])N=C

DOS

IR

Vibrations