Geometry & MOs

Info

ID:	267413
PubChem CID:	103582154
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	296.99353
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	0.79
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-(thiadiazol-4-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=CC(=CO2)C(=O)OC

DOS

IR

Vibrations