Geometry & MOs

Info

ID:	390501
PubChem CID:	134999452
Reduced:	ClN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	3.3
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(N-methyl-4-phenylanilino)methyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C3=CNC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations