Geometry & MOs

Info

ID:	39066
PubChem CID:	8139477
Reduced:	ClN3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	370.169271
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	2.37
IP(EA), eV:	-9.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations