Geometry & MOs

Info

ID:	174677
PubChem CID:	75806050
Reduced:	BrN4O4H19C22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	467.03549
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	1.65
IP(EA), eV:	-8.34(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=C3N=C(CC(N3N=C2)C4=CC=C(C=C4)Br)C(=O)O

DOS

IR

Vibrations