Geometry & MOs

Info

ID:	430746
PubChem CID:	135170813
Reduced:	OSN3C23H31 (1)
Stoich.:	ABC3D23E31 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	40.04
Dipole, Da:	2.16
IP(EA), eV:	-8.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-(1H-imidazol-5-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC(=C)SC(=C)C2CC2)C(=O)C3=CC(=CN3)C=C

DOS

IR

Vibrations