Geometry & MOs

Info

ID:	248001
PubChem CID:	103078079
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	-13.55
Dipole, Da:	3.79
IP(EA), eV:	-7.84(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-benzyl-1-methyl-3-N-propylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CCC1COC(CN1C2=NN(C=C2N)C)C

DOS

IR

Vibrations