Geometry & MOs

Info

ID:

414682

PubChem CID:

135087641

Reduced:

SO6N10C37H48 (1)

Stoich.:

AB6C10D37E48 (1)

Weight, g/mol:

302.210661

ΔHf, kcal/mol:

-171.57

Dipole, Da:

12.75

IP(EA), eV:

 -8.14(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=NN(C(=C5)C)C)C

DOS

IR

Vibrations