Geometry & MOs

Info

ID:	14478
PubChem CID:	412584
Reduced:	N3C5H8 (2)
Stoich.:	A3B5C8 (2)
Weight, g/mol:	220.143645
ΔH_f, kcal/mol:	111.45
Dipole, Da:	9.36
IP(EA), eV:	-9.57(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dipropyl-7aH-triazolo[4,5-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CCCN(CCC)C1=NC=NC2=NN=NC21

DOS

IR

Vibrations