Geometry & MOs

Info

ID:	170283
PubChem CID:	75214665
Reduced:	O3C23H32 (2)
Stoich.:	A3B23C32 (2)
Weight, g/mol:	481.159748
ΔH_f, kcal/mol:	-320.83
Dipole, Da:	10.03
IP(EA), eV:	-9.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-(1-benzylindazol-3-yl)oxypropanedioic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)CC=CCC5CC6=CC(=O)CCC6(C7C5C8CCC(C8(CC7)C)OC(=O)C)C)C

DOS

IR

Vibrations