Geometry & MOs

Info

ID:	414442
PubChem CID:	135087400
Reduced:	FN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	3.53
IP(EA), eV:	-8.92(-1.0)
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]-3-(1H-pyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N(C)CC2CCC2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations