Geometry & MOs

Info

ID:	199811
PubChem CID:	79299776
Reduced:	NC3H5 (5)
Stoich.:	AB3C5 (5)
Weight, g/mol:	282.161125
ΔH_f, kcal/mol:	50.55
Dipole, Da:	5.18
IP(EA), eV:	-8.32(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroethyl)-3-ethyl-1-methyl-6-(3-methylbutyl)imidazo[4,5-c]pyrazole

Drug info:

PubChemData

Smile

CCC1CCCCC1N2C3=C(C(=NN3C)CC)N=C2N

DOS

IR

Vibrations