Geometry & MOs

Info

ID:	59365
PubChem CID:	24844218
Reduced:	NC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	299.026203
ΔH_f, kcal/mol:	-4.57
Dipole, Da:	3.58
IP(EA), eV:	-9.46(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-chloroethyl)-3,5-dimethylpyrazole-1-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC=NN1

DOS

IR

Vibrations