Geometry & MOs

Info

ID:	294860
PubChem CID:	117500871
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	314.06299
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	2.91
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-2,5-dimethoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC(CO)C1=CC(=C(C(=C1)Br)OCC2CC2)OC

DOS

IR

Vibrations