Geometry & MOs

Info

ID:	321458
PubChem CID:	126666081
Reduced:	ClFO2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	289.15904
ΔH_f, kcal/mol:	-32.64
Dipole, Da:	2.01
IP(EA), eV:	-9.63(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-2H-pyrazin-6-ol

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C)CC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations