Geometry & MOs

Info

ID:	280115
PubChem CID:	103846959
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	4.47
IP(EA), eV:	-9.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCCC1=C(C=CC(=C1)C)C=O

DOS

IR

Vibrations