Geometry & MOs

Info

ID:	305399
PubChem CID:	124807110
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-20.28
Dipole, Da:	3.17
IP(EA), eV:	-8.93(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-6-methyl-9-(1-methylpyrazol-4-yl)-2-[(2S)-oxolane-2-carbonyl]-2,6,9-triazaspiro[4.5]decan-8-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)CN2C[C@@H]3[C@H](C2)OC[C@H]3CN4CCCC4)C

DOS

IR

Vibrations