Geometry & MOs

Info

ID:	446539
PubChem CID:	135275794
Reduced:	O3N4C33H44 (1)
Stoich.:	A3B4C33D44 (1)
Weight, g/mol:	232.96876
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	2.6
IP(EA), eV:	-8.4(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-3-(methylamino)furan-2-carboxylate

Drug info:

PubChemData

Smile

CCN(/C(=C/C=C(\C)/C(CC(=O)OC)C1=CC2=C(CCN(C2)C(=O)C3=C(C(=CC(=C3C)C)C)C)C=C1)/C(=C)N)N

DOS

IR

Vibrations