Geometry & MOs

Info

ID:	362618
PubChem CID:	127308886
Reduced:	BrSO2N4C14H17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	382.0463
ΔH_f, kcal/mol:	-4.46
Dipole, Da:	5.39
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)NCC2=CC=C(S2)Br)CN3C=CC=N3

DOS

IR

Vibrations