Geometry & MOs

Info

ID:	423242
PubChem CID:	135119162
Reduced:	NSO6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-230.92
Dipole, Da:	7.4
IP(EA), eV:	-9.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-(3-methylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations