Geometry & MOs

Info

ID:	188344
PubChem CID:	77702141
Reduced:	OF2N6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	3.64
IP(EA), eV:	-9.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyrimidin-5-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)C2=CC=C(C=C2)F)NC3CCCC(C3)C(=O)NCC4=CC=CC=C4CF

DOS

IR

Vibrations