Geometry & MOs

Info

ID:	205230
PubChem CID:	80072637
Reduced:	NSO2C15H29 (1)
Stoich.:	ABC2D15E29 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	-129.62
Dipole, Da:	6.66
IP(EA), eV:	-9.14(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chloroethyl)piperazin-1-yl]-(2-methylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CC1(CCCN1)C2CCCC(C2)S(=O)(=O)C

DOS

IR

Vibrations