Geometry & MOs

Info

ID:	295157
PubChem CID:	117518889
Reduced:	BrO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	354.09429
ΔH_f, kcal/mol:	-134.57
Dipole, Da:	4.21
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1OC)Br)C2(CCCCC2)C(=O)O

DOS

IR

Vibrations