Geometry & MOs

Info

ID:	162148
PubChem CID:	57393767
Reduced:	N2O2H5C6 (2)
Stoich.:	A2B2C5D6 (2)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-127.57
Dipole, Da:	0.05
IP(EA), eV:	-10.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(=O)NC(=O)N2)C3C(=O)NC(=O)N3

DOS

IR

Vibrations