Geometry & MOs

Info

ID:	160714
PubChem CID:	57389536
Reduced:	ClOF3N3H7C8 (1)
Stoich.:	ABC3D3E7F8 (1)
Weight, g/mol:	442.180504
ΔH_f, kcal/mol:	-175.21
Dipole, Da:	3.84
IP(EA), eV:	-9.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6R)-3-(5-fluoro-1,3-benzoxazol-2-yl)-3,8-diazabicyclo[4.2.0]octan-8-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=O)C=C(NC2=N1)Cl)C(F)(F)F

DOS

IR

Vibrations