Geometry & MOs

Info

ID:	352470
PubChem CID:	127283558
Reduced:	OSN7C15H17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	87.06
Dipole, Da:	10.13
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[3-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations