Geometry & MOs

Info

ID:	62784
PubChem CID:	26736772
Reduced:	ClN3O5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	376.074533
ΔH_f, kcal/mol:	-76.79
Dipole, Da:	7.57
IP(EA), eV:	-8.61(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)OC

DOS

IR

Vibrations