Geometry & MOs

Info

ID:	57325
PubChem CID:	22395663
Reduced:	O2C9H16 (2)
Stoich.:	A2B9C16 (2)
Weight, g/mol:	233.101171
ΔH_f, kcal/mol:	-210.51
Dipole, Da:	4.69
IP(EA), eV:	-9.56(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,7-triamino-2-(hydroxymethyl)-3,7-dioxoheptanoic acid

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C/CCCCCCC(C(=O)O)(O)O

DOS

IR

Vibrations