Geometry & MOs

Info

ID:	431174
PubChem CID:	135171244
Reduced:	PSO3N4H17C18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-61.28
Dipole, Da:	4.86
IP(EA), eV:	-8.44(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[2-(4-methoxyphenyl)propan-2-ylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)N/C(=C/4\C(=O)C5=C(N(C4=O)P)SC=C5)/N3

DOS

IR

Vibrations