Geometry & MOs

Info

ID:	207746
PubChem CID:	80444126
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	311.239519
ΔH_f, kcal/mol:	-1.31
Dipole, Da:	6.74
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N(C)CCC2=CC=CC=C2)C=O

DOS

IR

Vibrations