Geometry & MOs

Info

ID:	168813
PubChem CID:	75022119
Reduced:	SO9C19H24 (1)
Stoich.:	AB9C19D24 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-378.53
Dipole, Da:	4.87
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[amino-(3-methylimidazol-4-yl)methylidene]amino] butanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SC2=CC=C(C=C2)OC)OC(=O)C)OC(=O)C)O

DOS

IR

Vibrations