Geometry & MOs

Info

ID:

173716

PubChem CID:

75673128

Reduced:

N4O4H19C22 (1)

Stoich.:

A4B4C19D22 (1)

Weight, g/mol:

404.148455

ΔHf, kcal/mol:

-5.16

Dipole, Da:

9.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.033807

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-methoxyphenyl)-3-[(3-methylphenyl)carbamoyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=C3N=C(CC(N3N=C2)C4=CC=C(C=C4)OC)C(=O)[O-]

DOS

IR

Vibrations