Geometry & MOs

Info

ID:

81908

PubChem CID:

49855336

Reduced:

SN2O5C40H40 (1)

Stoich.:

AB2C5D40E40 (1)

Weight, g/mol:

395.293663

ΔHf, kcal/mol:

-129.96

Dipole, Da:

10.81

IP(EA), eV:

 -8.48(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-pentyl-4-phenyl-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations