Geometry & MOs

Info

ID:	65348
PubChem CID:	29214753
Reduced:	OS2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	383.279744
ΔH_f, kcal/mol:	2.56
Dipole, Da:	3.46
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]-2-azaspiro[4.4]nonane

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)CCCC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations