Geometry & MOs

Info

ID:	254165
PubChem CID:	103123208
Reduced:	SO2F3N4C11H15 (1)
Stoich.:	AB2C3D4E11F15 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-199.12
Dipole, Da:	5.78
IP(EA), eV:	-9.43(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminobutyl)-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1C2=C(N=NN2CCSC(F)(F)F)C(=O)O

DOS

IR

Vibrations