Geometry & MOs

Info

ID:	210499
PubChem CID:	80815916
Reduced:	ON6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	-13.07
Dipole, Da:	2.59
IP(EA), eV:	-8.76(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C2=NC(=NC(=N2)N)N3CCOCC3

DOS

IR

Vibrations