Geometry & MOs

Info

ID:	273946
PubChem CID:	103806011
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	287.9932
ΔH_f, kcal/mol:	-14.91
Dipole, Da:	5.89
IP(EA), eV:	-8.81(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CNCCN1C(=O)C2=CN(N=C2C)C

DOS

IR

Vibrations