Geometry & MOs

Info

ID:	267414
PubChem CID:	103582156
Reduced:	BrSN3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	64.68
Dipole, Da:	3.33
IP(EA), eV:	-8.64(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-bromo-3,5-dimethylanilino)methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=CSN=N2

DOS

IR

Vibrations