Geometry & MOs

Info

ID:	414582
PubChem CID:	135087541
Reduced:	N7O7C38H51 (1)
Stoich.:	A7B7C38D51 (1)
Weight, g/mol:	295.175914
ΔH_f, kcal/mol:	-184.96
Dipole, Da:	5.37
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-(4,4,4-trifluorobutyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)CCC4=CC=NN4C

DOS

IR

Vibrations