Geometry & MOs

Info

ID:	430735
PubChem CID:	135170802
Reduced:	O2F3N3C23H30 (1)
Stoich.:	A2B3C3D23E30 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	-227.82
Dipole, Da:	6.45
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H](C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)NCC4CCOCC4

DOS

IR

Vibrations