Geometry & MOs

Info

ID:	443690
PubChem CID:	135259770
Reduced:	ON3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-1.01
Dipole, Da:	1.31
IP(EA), eV:	-8.52(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2-chlorobenzoyl)-2,6-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC=C2CN3CCOCC3)C)CC4=CC=CC=C4

DOS

IR

Vibrations