Geometry & MOs

Info

ID:	443724
PubChem CID:	135259856
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-164.29
Dipole, Da:	3.57
IP(EA), eV:	-9.12(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S,6R)-2,6-dimethyl-4-[methyl(phenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1COC2=CC=C(C=C2)CO)C(=O)O

DOS

IR

Vibrations