Geometry & MOs

Info

ID:	156899
PubChem CID:	56394848
Reduced:	N4O6C21H28 (1)
Stoich.:	A4B6C21D28 (1)
Weight, g/mol:	426.161329
ΔH_f, kcal/mol:	-157.24
Dipole, Da:	6.9
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfonylmethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN2C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations