Geometry & MOs

Info

ID:	430928
PubChem CID:	135170998
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	488.239911
ΔH_f, kcal/mol:	-5.19
Dipole, Da:	4.04
IP(EA), eV:	-9.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCC(CCOC1=CC=C(C=C1)C=O)(N)N

DOS

IR

Vibrations