Geometry & MOs

Info

ID:	274068
PubChem CID:	103806850
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	302.00885
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	7.16
IP(EA), eV:	-9.42(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-3-yl)-(3,5-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C(=O)[C@@H]2CCC(=O)N2

DOS

IR

Vibrations