Geometry & MOs

Info

ID:	28662
PubChem CID:	828837
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	3.11
IP(EA), eV:	-8.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations