Geometry & MOs

Info

ID:	150075
PubChem CID:	53789761
Reduced:	N3O4C22H37 (1)
Stoich.:	A3B4C22D37 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	-186.78
Dipole, Da:	4.48
IP(EA), eV:	-7.99(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(CN1CCN(CC1)C)CN2C(=C3CCCCC3=C2O)O

DOS

IR

Vibrations