Geometry & MOs

Info

ID:	430717
PubChem CID:	135170784
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-23.1
Dipole, Da:	1.98
IP(EA), eV:	-8.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethyl-4-methoxy-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations