Geometry & MOs

Info

ID:	416707
PubChem CID:	135090142
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	5.36
IP(EA), eV:	-8.32(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)N2CCC[C@@]3(C2)CCC[C@H]3O)OC

DOS

IR

Vibrations