Geometry & MOs

Info

ID:	430725
PubChem CID:	135170792
Reduced:	NC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	56.22
Dipole, Da:	1.85
IP(EA), eV:	-9.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC1=C(C=CC=N1)N=C)C

DOS

IR

Vibrations