Geometry & MOs

Info

ID:	169309
PubChem CID:	75088449
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-133.63
Dipole, Da:	4.83
IP(EA), eV:	-9.21(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCNC(C1)CC2=CC=CC=C2.Cl

DOS

IR

Vibrations