Geometry & MOs

Info

ID:	322354
PubChem CID:	126669898
Reduced:	ClNO2C12H15 (2)
Stoich.:	ABC2D12E15 (2)
Weight, g/mol:	224.108026
ΔH_f, kcal/mol:	-182.13
Dipole, Da:	6.12
IP(EA), eV:	-9.1(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-chlorophenyl)methyl]-5-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Cl)CNC(CC2=CC=C(C=C2)Cl)C(=O)OC

DOS

IR

Vibrations