Geometry & MOs

Info

ID:	267410
PubChem CID:	103582146
Reduced:	BrClN3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	70.05
Dipole, Da:	1.1
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CNCC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations