Geometry & MOs

Info

ID:	201791
PubChem CID:	79584371
Reduced:	ClION4C11H12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	45.16
Dipole, Da:	4.07
IP(EA), eV:	-9.3(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-(1,5-dimethylpyrazol-4-yl)-3-propylimidazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2=NC(=C(C(=N2)Cl)I)COC

DOS

IR

Vibrations