Geometry & MOs

Info

ID:	336834
PubChem CID:	127255841
Reduced:	NO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	343.126717
ΔH_f, kcal/mol:	-226.38
Dipole, Da:	2.19
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxypropane-1,2,3-tricarboxylic acid;(1S)-1-(4-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)N.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations