Geometry & MOs

Info

ID:	156810
PubChem CID:	56394442
Reduced:	N3O3C26H33 (1)
Stoich.:	A3B3C26D33 (1)
Weight, g/mol:	398.13972
ΔH_f, kcal/mol:	-98.84
Dipole, Da:	5.42
IP(EA), eV:	-8.65(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations