Geometry & MOs

Info

ID:	173714
PubChem CID:	75673126
Reduced:	O3N4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	25.65
Dipole, Da:	8.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039903
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(=NC3=C(C=NN23)C(=O)NC4=CC=CC(=C4)C)C(=O)[O-]

DOS

IR

Vibrations