Geometry & MOs

Info

ID:	334275
PubChem CID:	127252827
Reduced:	BrON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	6.66
Dipole, Da:	6.59
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-7-oxofuro[3,2-b]pyran-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=C2C=CC=C3Br)C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations