Geometry & MOs

Info

ID:	431056
PubChem CID:	135171126
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	446.172974
ΔH_f, kcal/mol:	41.48
Dipole, Da:	2.91
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-fluorophenyl)methylamino]cyclohex-3-en-1-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=NC=NC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations