Geometry & MOs

Info

ID:	164601
PubChem CID:	74423700
Reduced:	NO3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	326.147786
ΔH_f, kcal/mol:	-232.67
Dipole, Da:	8.29
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diaminopentanoic acid;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)O)O.C(CCN)CC(C(=O)O)N

DOS

IR

Vibrations