Geometry & MOs

Info

ID:	418961
PubChem CID:	135107224
Reduced:	N4O4C16H23 (2)
Stoich.:	A4B4C16D23 (2)
Weight, g/mol:	309.155178
ΔH_f, kcal/mol:	-267.89
Dipole, Da:	6.0
IP(EA), eV:	-8.99(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CNC(=O)C3=NON=C3C)C(C)C

DOS

IR

Vibrations