Geometry & MOs

Info

ID:	174971
PubChem CID:	75839769
Reduced:	FOSN3C18H25 (1)
Stoich.:	ABCD3E18F25 (1)
Weight, g/mol:	296.187521
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033443
Charge, e:	1

Chem-info

IUPAC name:

1-(1H-benzimidazol-2-yl)ethyl-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=C(C=C2)F)C[NH+](CCCO)CC3=CC=CS3

DOS

IR

Vibrations