Geometry & MOs

Info

ID:	361533
PubChem CID:	127303723
Reduced:	OSN6C15H20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	390.237939
ΔH_f, kcal/mol:	40.7
Dipole, Da:	6.16
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCCN2C3=NC=CS3)N4C=NC=N4

DOS

IR

Vibrations