Geometry & MOs

Info

ID:	431270
PubChem CID:	135171341
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	327.080631
ΔH_f, kcal/mol:	10.9
Dipole, Da:	6.52
IP(EA), eV:	-9.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-5-(trifluoromethyl)-2-[(3R)-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N)C(=O)C2=CC3=C(N2)C=CC(=C3)C#N

DOS

IR

Vibrations