Geometry & MOs

Info

ID:	209367
PubChem CID:	80660054
Reduced:	BrON2C14H25 (1)
Stoich.:	ABC2D14E25 (1)
Weight, g/mol:	332.10994
ΔH_f, kcal/mol:	-70.27
Dipole, Da:	3.07
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-bromoethyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCN(CC2)CCBr

DOS

IR

Vibrations