Geometry & MOs

Info

ID:	124416
PubChem CID:	50882603
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-89.8
Dipole, Da:	3.87
IP(EA), eV:	-8.77(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-methoxy-5-methylphenyl)-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OC)C(=O)N2CCCCC2C

DOS

IR

Vibrations