Geometry & MOs

Info

ID:	39281
PubChem CID:	8140050
Reduced:	BrN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	393.0688
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997810
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations