Geometry & MOs

Info

ID:	209412
PubChem CID:	80667235
Reduced:	NOBr2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	349.04596
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	5.61
IP(EA), eV:	-8.03(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-cyclohexyl-5-methyl-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC(CN(C)CC1=C(C=CC(=C1)Br)OC)Br

DOS

IR

Vibrations