Geometry & MOs

Info

ID:	249935
PubChem CID:	103092979
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	196.10342
ΔH_f, kcal/mol:	18.68
Dipole, Da:	4.22
IP(EA), eV:	-9.25(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C(=C/C1=C(C=C(C=C1)Br)[N+](=O)[O-])/C)NC

DOS

IR

Vibrations