Geometry & MOs

Info

ID:	193151
PubChem CID:	78349916
Reduced:	P2N6O15C21H23 (1)
Stoich.:	A2B6C15D21E23 (1)
Weight, g/mol:	230.126657
ΔH_f, kcal/mol:	-552.6
Dipole, Da:	6.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.262388
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-iminodecanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)C2C(=C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(=C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)O

DOS

IR

Vibrations