Geometry & MOs

Info

ID:	430908
PubChem CID:	135170978
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	402.241962
ΔH_f, kcal/mol:	-155.76
Dipole, Da:	4.98
IP(EA), eV:	-9.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(3R)-3-[(1-phenylcyclopropyl)amino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NC(=O)OC(C)(C)C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations