Geometry & MOs

Info

ID:	54556
PubChem CID:	17388888
Reduced:	NO6C21H31 (1)
Stoich.:	AB6C21D31 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-254.06
Dipole, Da:	2.3
IP(EA), eV:	-8.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-4-(pyridin-2-ylmethyl)piperazine;oxalic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)CN2CC3(CC2CC(C3)(C)C)C.C(=O)(C(=O)O)O

DOS

IR

Vibrations