Geometry & MOs

Info

ID:	66111
PubChem CID:	46493514
Reduced:	BrO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	422.08412
ΔH_f, kcal/mol:	-5.2
Dipole, Da:	1.99
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[3-(2-methylpropoxy)propylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCC3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations