Geometry & MOs

Info

ID:	183905
PubChem CID:	77088909
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-104.49
Dipole, Da:	2.52
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[4-(2-phenylethoxy)phenyl]methyl]piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(=O)NC2CC3=CC=CC=C3OC2

DOS

IR

Vibrations