Geometry & MOs

Info

ID:	176759
PubChem CID:	76094753
Reduced:	O5C24H42 (1)
Stoich.:	A5B24C42 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-275.9
Dipole, Da:	6.82
IP(EA), eV:	-9.89(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CCC(CCC(=O)O)C=CCC1C(CC(C1C=CCCCCCCCCO)O)O

DOS

IR

Vibrations