Geometry & MOs

Info

ID:	430944
PubChem CID:	135171014
Reduced:	O2F3N4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	389.246713
ΔH_f, kcal/mol:	-189.47
Dipole, Da:	4.16
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations