Geometry & MOs

Info

ID:	335833
PubChem CID:	127254695
Reduced:	F3N3O4H20C21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	325.140197
ΔH_f, kcal/mol:	-256.78
Dipole, Da:	9.11
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-N-[5-(trifluoromethyl)pyridin-2-yl]hexanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=C(C(=C3)F)F)F)O

DOS

IR

Vibrations