Geometry & MOs

Info

ID:	414823
PubChem CID:	135087794
Reduced:	SN3O4C10H15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	413.186318
ΔH_f, kcal/mol:	-135.64
Dipole, Da:	5.34
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=NN=C(S1)NC(=O)CCCC(=O)O)OC

DOS

IR

Vibrations