Geometry & MOs

Info

ID:	249752
PubChem CID:	103091867
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	182.08777
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	2.05
IP(EA), eV:	-9.31(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C\C1=CC=CC=C1COC)/C)N

DOS

IR

Vibrations