Geometry & MOs

Info

ID:	431071
PubChem CID:	135171141
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	402.241962
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	4.57
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=NC=C2)OC)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations