Geometry & MOs

Info

ID:	287868
PubChem CID:	104296816
Reduced:	BrNC19H24 (1)
Stoich.:	ABC19D24 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	13.59
Dipole, Da:	0.64
IP(EA), eV:	-9.08(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-bromo-3-methylphenyl)-(ethylamino)methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=C(C=C1)C(C2=CC(=C(C=C2)Br)C)N

DOS

IR

Vibrations