Geometry & MOs

Info

ID:	431057
PubChem CID:	135171127
Reduced:	OF4N4H22C23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-169.32
Dipole, Da:	1.74
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CC(=C1)NCC2=CC(=CC=C2)F)N(CC(F)(F)F)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations