Geometry & MOs

Info

ID:	436670
PubChem CID:	135207317
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-213.58
Dipole, Da:	5.19
IP(EA), eV:	-8.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-2-(4-chloro-3-methylphenyl)piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=CNC1=CC(=CC=C1)OC)C(=O)OCC.COC1=CC=CC(=C1)N

DOS

IR

Vibrations