Geometry & MOs

Info

ID:	442303
PubChem CID:	135251165
Reduced:	N2F3O5C27H29 (1)
Stoich.:	A2B3C5D27E29 (1)
Weight, g/mol:	413.137397
ΔH_f, kcal/mol:	-303.73
Dipole, Da:	2.49
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 3-[4-(difluoromethyl)pyrazol-1-yl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC[C@H](C(F)(F)F)OC(=O)N2CCC3(CC2)C[C@@H](CO3)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations