Geometry & MOs

Info

ID:	431137
PubChem CID:	135171207
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	6.51
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)F)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations