Geometry & MOs

Info

ID:	167371
PubChem CID:	74816815
Reduced:	ClFON6C25H26 (1)
Stoich.:	ABCD6E25F26 (1)
Weight, g/mol:	448.141452
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	4.9
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1,2,4-triazol-3-yl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC=CC(=O)NC2=CC=CC(=C2)NC3=CC(=NC=N3)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations