Geometry & MOs

Info

ID:

415147

PubChem CID:

135088133

Reduced:

O6N7C38H49 (1)

Stoich.:

A6B7C38D49 (1)

Weight, g/mol:

317.146345

ΔHf, kcal/mol:

-218.42

Dipole, Da:

2.12

IP(EA), eV:

 -9.02(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)C4=CC(=NN4)C5=CC=CC=C5)C(C)C

DOS

IR

Vibrations