Geometry & MOs

Info

ID:	201879
PubChem CID:	79596141
Reduced:	BrOSC10H15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	284.99353
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	2.08
IP(EA), eV:	-9.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromothiophen-3-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCC(CC)C(C1=CSC=C1Br)O

DOS

IR

Vibrations