Geometry & MOs

Info

ID:	297795
PubChem CID:	117631268
Reduced:	O2F3N3H20C24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	3.51
IP(EA), eV:	-9.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-cyclobutylphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1[C@@H]2C[C@H]([C@H]1N(C2)C(=O)C3=CC=CC=C3C4=CC=CC=N4)OC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations