Geometry & MOs

Info

ID:	155644
PubChem CID:	56366564
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	359.103669
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	2.91
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)COC3=CC=CC=C3C(=O)NCCC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations