Geometry & MOs

Info

ID:	185090
PubChem CID:	77253625
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	488.16746
ΔH_f, kcal/mol:	-34.77
Dipole, Da:	2.68
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-[2-(2-bromophenoxy)propyl]-2-tert-butylpiperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)CC2=CN=C(C=C2)C3=C(N=CC=C3)N4CCC5(CC4)OCCO5

DOS

IR

Vibrations