Geometry & MOs

Info

ID:	29089
PubChem CID:	831498
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	252.139326
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	3.94
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-4-propan-2-ylpiperazine

Drug info:

PubChemData

Smile

CC[C@H](C)N1CCN(CC1)C(=O)C2=CC=CO2

DOS

IR

Vibrations