Geometry & MOs

Info

ID:	66020
PubChem CID:	46488146
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	442.01643
ΔH_f, kcal/mol:	-91.1
Dipole, Da:	6.12
IP(EA), eV:	-8.14(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)NCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations