Geometry & MOs

Info

ID:	321459
PubChem CID:	126666083
Reduced:	FON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	289.15904
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	4.47
IP(EA), eV:	-8.22(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-2H-pyrazin-2-ol

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=C(C=C2)F)N)N3CC=NC=C3O

DOS

IR

Vibrations