Geometry & MOs

Info

ID:	79291
PubChem CID:	49747869
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	5.86
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(3-phenylpyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)N2CCC(C2)C3=CC=CC=C3

DOS

IR

Vibrations