Geometry & MOs

Info

ID:	85587
PubChem CID:	49877342
Reduced:	Cl2N2O2C14H19 (1)
Stoich.:	A2B2C2D14E19 (1)
Weight, g/mol:	337.087444
ΔH_f, kcal/mol:	-37.46
Dipole, Da:	6.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809567
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone;chloride

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CCl.[Cl-]

DOS

IR

Vibrations