Geometry & MOs

Info

ID:	443813
PubChem CID:	135260047
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-90.24
Dipole, Da:	7.65
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC=C2)C)CC3=CC(=C(C=C3)C(=O)O)O

DOS

IR

Vibrations