Geometry & MOs

Info

ID:	361615
PubChem CID:	127303881
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	14.38
Dipole, Da:	8.51
IP(EA), eV:	-8.95(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)N3CCCC(C3)C4=NN=CN4C(C)C)C

DOS

IR

Vibrations