Geometry & MOs

Info

ID:	336832
PubChem CID:	127255839
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	301.116152
ΔH_f, kcal/mol:	8.53
Dipole, Da:	7.3
IP(EA), eV:	-9.05(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxybutanedioic acid;(1R)-1-(4-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

C1N(CN(CN1C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O

DOS

IR

Vibrations