Geometry & MOs

Info

ID:	269999
PubChem CID:	103621839
Reduced:	BrINO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	345.009012
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	2.91
IP(EA), eV:	-9.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylfuran-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations