Geometry & MOs

Info

ID:	28657
PubChem CID:	828816
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	-114.39
Dipole, Da:	4.66
IP(EA), eV:	-8.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3CCCCC3)OC

DOS

IR

Vibrations