Geometry & MOs

Info

ID:

174457

PubChem CID:

75765571

Reduced:

NO6H22C26 (1)

Stoich.:

AB6C22D26 (1)

Weight, g/mol:

453.096572

ΔHf, kcal/mol:

-94.72

Dipole, Da:

3.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.785794

Charge, e:

 -1

Chem-info

IUPAC name:

3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(2-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(C(=C(C2=O)O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)[O-]

DOS

IR

Vibrations