Geometry & MOs

Info

ID:	187976
PubChem CID:	77649856
Reduced:	F3O3N7C23H28 (1)
Stoich.:	A3B3C7D23E28 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-195.75
Dipole, Da:	3.28
IP(EA), eV:	-8.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-pyrazin-2-yl-4-pyrrolidin-1-ylbutyl) 2-cyclopentyl-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC(C)C1=NN(C2=C1N=C(N=C2NC3=CC=CC=N3)N4CCCC(C4)C(=O)O)CCOCC(F)(F)F

DOS

IR

Vibrations