Geometry & MOs

Info

ID:	255451
PubChem CID:	103132128
Reduced:	ON6C13H20 (1)
Stoich.:	AB6C13D20 (1)
Weight, g/mol:	220.070874
ΔH_f, kcal/mol:	32.07
Dipole, Da:	3.94
IP(EA), eV:	-9.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)C2=NN(C=C2)C)OCCC

DOS

IR

Vibrations