Geometry & MOs

Info

ID:	430999
PubChem CID:	135171069
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	25.6
Dipole, Da:	1.9
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(2-oxo-1H-pyridin-4-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NOC(=C2)C3CC3)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations