Geometry & MOs

Info

ID:	415267
PubChem CID:	135088259
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	4.1
IP(EA), eV:	-8.94(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)CN2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations