Geometry & MOs

Info

ID:	339390
PubChem CID:	127261286
Reduced:	OC18H18 (1)
Stoich.:	AB18C18 (1)
Weight, g/mol:	227.109233
ΔH_f, kcal/mol:	77.14
Dipole, Da:	4.08
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-[(E)-ethylideneamino]oxy-4-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCCC#C/C=C/C#CC1=CC=CC=C1C(=O)C

DOS

IR

Vibrations