Geometry & MOs

Info

ID:	298706
PubChem CID:	117654155
Reduced:	N2O10C25H30 (1)
Stoich.:	A2B10C25D30 (1)
Weight, g/mol:	314.151809
ΔH_f, kcal/mol:	-215.38
Dipole, Da:	8.37
IP(EA), eV:	-9.77(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dihydroxy-3,4,6-trimethylphenyl)-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)C)C(CC(CCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)O)C2=CC=CC=C2)C

DOS

IR

Vibrations