Geometry & MOs

Info

ID:	367543
PubChem CID:	127324911
Reduced:	FO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	328.182064
ΔH_f, kcal/mol:	-72.29
Dipole, Da:	4.87
IP(EA), eV:	-8.74(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations