Geometry & MOs

Info

ID:	431191
PubChem CID:	135171261
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	2.7
IP(EA), eV:	-9.15(0.35)
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-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCNC1C2=CC=CC=C2

DOS

IR

Vibrations