Geometry & MOs

Info

ID:

180053

PubChem CID:

76570505

Reduced:

ClOSN4C27H35 (1)

Stoich.:

ABCD4E27F35 (1)

Weight, g/mol:

562.291946

ΔHf, kcal/mol:

-1.71

Dipole, Da:

3.36

IP(EA), eV:

 -8.58(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,7-dimethyl-5-phenyl-N-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]pentan-3-yl]-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=C(C=C1)Cl)NC(=O)C2C(NN3C2=NC(CC3(C)C)C4=CC=CC=C4)SC

DOS

IR

Vibrations