Geometry & MOs

Info

ID:	28658
PubChem CID:	828817
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	-40.22
Dipole, Da:	4.18
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations