Geometry & MOs

Info

ID:	271126
PubChem CID:	103644437
Reduced:	BrClON4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	300.125612
ΔH_f, kcal/mol:	25.43
Dipole, Da:	4.32
IP(EA), eV:	-9.3(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NN=C1NC(=O)C2=C(N=CC(=C2)Br)Cl)C

DOS

IR

Vibrations