Geometry & MOs

Info

ID:	431058
PubChem CID:	135171128
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	3.2
IP(EA), eV:	-8.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC[C@@H](C1)NC(C)(C)C2=CC=C(C=C2)OC)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations