Geometry & MOs

Info

ID:	294824
PubChem CID:	117498614
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	312.08373
ΔH_f, kcal/mol:	-15.91
Dipole, Da:	5.35
IP(EA), eV:	-8.77(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(piperazin-1-ylmethyl)-5-propan-2-ylphenol

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1)OC2CN(C2)C)Br)N

DOS

IR

Vibrations