Geometry & MOs

Info

ID:	248096
PubChem CID:	103078911
Reduced:	SN4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	220.143645
ΔH_f, kcal/mol:	34.92
Dipole, Da:	3.76
IP(EA), eV:	-7.93(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[1-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCCSC2)N

DOS

IR

Vibrations