Geometry & MOs

Info

ID:	209445
PubChem CID:	80673465
Reduced:	BrN2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	321.01466
ΔH_f, kcal/mol:	11.71
Dipole, Da:	0.81
IP(EA), eV:	-8.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N2CCCC(C2)Br

DOS

IR

Vibrations