Geometry & MOs

Info

ID:	443713
PubChem CID:	135259805
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	7.35
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,5R)-4-[[2-(furan-2-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CCC(C)C)C)CC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations