Geometry & MOs

Info

ID:	176737
PubChem CID:	76090551
Reduced:	N3O4C31H53 (1)
Stoich.:	A3B4C31D53 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-237.51
Dipole, Da:	3.1
IP(EA), eV:	-9.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

hydroxy-[[5-[[hydroxy(methyl)azaniumylidene]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-methylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(CCC(=O)N)(C(=O)O)N(C1=CC=CC=C1)C(=O)CN

DOS

IR

Vibrations