Geometry & MOs

Info

ID:	265477
PubChem CID:	103524347
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	370.03506
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	7.0
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(=O)C2=NC=C(C=C2)N)OC)Br

DOS

IR

Vibrations