Geometry & MOs

Info

ID:

173718

PubChem CID:

75673130

Reduced:

O3N4H17C21 (1)

Stoich.:

A3B4C17D21 (1)

Weight, g/mol:

374.13789

ΔHf, kcal/mol:

36.25

Dipole, Da:

9.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.032140

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3-methylphenyl)carbamoyl]-7-phenyl-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=CC=C4)C(=O)[O-]

DOS

IR

Vibrations