Geometry & MOs

Info

ID:	201371
PubChem CID:	79529276
Reduced:	ClON6H9C11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	220.107259
ΔH_f, kcal/mol:	113.88
Dipole, Da:	7.42
IP(EA), eV:	-8.92(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1H-pyrazol-4-yl)methyl]-6-methoxypyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NO2)CN3C=C(N=N3)N)Cl

DOS

IR

Vibrations