Geometry & MOs

Info

ID:	261945
PubChem CID:	103260574
Reduced:	BrN2O2C11H21 (1)
Stoich.:	AB2C2D11E21 (1)
Weight, g/mol:	309.00006
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	2.84
IP(EA), eV:	-8.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-3-methylanilino)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NCC(C(=O)OC)Br

DOS

IR

Vibrations