Geometry & MOs

Info

ID:	177152
PubChem CID:	76141807
Reduced:	O6C33H34 (1)
Stoich.:	A6B33C34 (1)
Weight, g/mol:	326.184172
ΔH_f, kcal/mol:	-181.47
Dipole, Da:	3.94
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[[1-carboxy-2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(C(C(=O)OCC2=CC=CC=C2)OCCCCCC3=CC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations