Geometry & MOs

Info

ID:	267412
PubChem CID:	103582151
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	3.88
IP(EA), eV:	-8.35(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC2CC(C2)OC

DOS

IR

Vibrations