Geometry & MOs

Info

ID:	13187
PubChem CID:	222745
Reduced:	NO8C23H29 (1)
Stoich.:	AB8C23D29 (1)
Weight, g/mol:	447.189317
ΔH_f, kcal/mol:	-319.36
Dipole, Da:	2.02
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylphenoxy)-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations