Geometry & MOs

Info

ID:	177125
PubChem CID:	76137056
Reduced:	O5C22H28 (1)
Stoich.:	A5B22C28 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-235.18
Dipole, Da:	2.31
IP(EA), eV:	-9.16(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-2,6-dimethylheptanedioic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CC(C4=C3C=CC(=C4)OC(=O)C)O)C

DOS

IR

Vibrations