Geometry & MOs

Info

ID:	421948
PubChem CID:	135116891
Reduced:	SN2O7C20H28 (1)
Stoich.:	AB2C7D20E28 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-292.5
Dipole, Da:	8.0
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-9-methyl-7-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)CC(CCO4)(CO)O

DOS

IR

Vibrations