Geometry & MOs

Info

ID:	349842
PubChem CID:	127276234
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	337.193632
ΔH_f, kcal/mol:	19.91
Dipole, Da:	5.75
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations