Geometry & MOs

Info

ID:	443706
PubChem CID:	135259788
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-67.73
Dipole, Da:	5.92
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(3-chlorobenzoyl)-2,6-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)C2=CC=CC=N2)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations