Geometry & MOs

Info

ID:	201339
PubChem CID:	79526486
Reduced:	ClSN2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	10.01
Dipole, Da:	4.38
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)cyclohexyl]-(4-prop-2-enylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCCCCNC1=NC2=C(S1)C=C(C=C2)Cl

DOS

IR

Vibrations