Geometry & MOs

Info

ID:	443754
PubChem CID:	135259922
Reduced:	N2O3C30H38 (1)
Stoich.:	A2B3C30D38 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-112.11
Dipole, Da:	6.89
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)C(=O)CC3=CC(=CC=C3)C4=CCC(CC4)(C)C

DOS

IR

Vibrations