Geometry & MOs

Info

ID:	399220
PubChem CID:	135038845
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	189.129969
ΔH_f, kcal/mol:	-268.32
Dipole, Da:	2.42
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[3-(methylamino)propylazaniumylidene]butane-1-thiolate

Drug info:

PubChemData

Smile

CCOC(=O)CC1(CCC(=C(C1=C)O)C(=O)OCC)O

DOS

IR

Vibrations