Geometry & MOs

Info

ID:	271690
PubChem CID:	103688618
Reduced:	SN2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	176.106196
ΔH_f, kcal/mol:	55.46
Dipole, Da:	3.72
IP(EA), eV:	-8.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-imidazol-1-ylethyl)-1-methylpyrazole

Drug info:

PubChemData

Smile

C=CCCCNC1=CC2=C(C=C1)N=CS2

DOS

IR

Vibrations