Geometry & MOs

Info

ID:	443736
PubChem CID:	135259878
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	3.85
IP(EA), eV:	-8.63(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R,6S)-4-[[4-(furan-2-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC=C2)C)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations