Geometry & MOs

Info

ID:	295638
PubChem CID:	117540529
Reduced:	BrN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	327.98811
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	6.15
IP(EA), eV:	-8.53(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(N1)CCC2=C(C=C(C=C2)OC)OC)Br

DOS

IR

Vibrations