Geometry & MOs

Info

ID:	171565
PubChem CID:	75394555
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	385.149384
ΔH_f, kcal/mol:	22.33
Dipole, Da:	6.34
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[[5-(dithiolan-3-yl)pentanoylamino]methyl]-3,5-dimethylpyrazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC(=C2N1C=CC=C2)CNC(=O)C3=CC(=NN3C)C(C)(C)C

DOS

IR

Vibrations