Geometry & MOs

Info

ID:	355402
PubChem CID:	127288465
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	5.47
IP(EA), eV:	-8.88(0.78)
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-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3COCCO3

DOS

IR

Vibrations