Geometry & MOs

Info

ID:	173715
PubChem CID:	75673127
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	403.14063
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	4.58
IP(EA), eV:	-8.74(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

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