Geometry & MOs

Info

ID:	414824
PubChem CID:	135087795
Reduced:	FO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	5.86
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-3-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2CN(C2)C(=O)C3=C(ON=C3N(C)C)C4=CC(=C(C=C4)F)OC)C

DOS

IR

Vibrations