Geometry & MOs

Info

ID:	420113
PubChem CID:	135111218
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-11.14
Dipole, Da:	3.71
IP(EA), eV:	-9.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CN(CCC1CCCCO1)C2=NN=C(O2)CSC3=CC=NC=C3

DOS

IR

Vibrations