Geometry & MOs

Info

ID:	443717
PubChem CID:	135259829
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-67.97
Dipole, Da:	6.18
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R,6S)-4-[[2-(furan-3-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)CC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations