Geometry & MOs

Info

ID:	296986
PubChem CID:	117604867
Reduced:	NOCl2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	4.27
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6-dimethylpyrimidin-2-yl)amino]-7-azabicyclo[2.2.1]heptane-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)N)C2=CC(=C(C=C2)Cl)Cl)CCCO

DOS

IR

Vibrations