Geometry & MOs

Info

ID:	430797
PubChem CID:	135170864
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	411.212219
ΔH_f, kcal/mol:	22.26
Dipole, Da:	2.04
IP(EA), eV:	-8.41(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-fluoro-N-[(1S,3R)-3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)OCC#C)C(=O)C3=NC4=C(N3)C=C(C=C4)N

DOS

IR

Vibrations