Geometry & MOs

Info

ID:	418880
PubChem CID:	135107045
Reduced:	FN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-108.32
Dipole, Da:	5.9
IP(EA), eV:	-9.38(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)F)C(=O)N3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations