Geometry & MOs

Info

ID:	199848
PubChem CID:	79307219
Reduced:	ClON5C13H20 (1)
Stoich.:	ABC5D13E20 (1)
Weight, g/mol:	282.124739
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	6.28
IP(EA), eV:	-8.78(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-1-ethyl-3-methyl-6-(oxan-4-yl)imidazo[4,5-c]pyrazole

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)N=C(N2CCNC(=O)C)C(C)Cl

DOS

IR

Vibrations