Geometry & MOs

Info

ID:	419268
PubChem CID:	135107871
Reduced:	O4N5H17C19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	24.6
Dipole, Da:	3.8
IP(EA), eV:	-9.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NOC(=C2)CNC(=O)CCCC3=NC(=NO3)C4=CC=CO4

DOS

IR

Vibrations