Geometry & MOs

Info

ID:	348492
PubChem CID:	127273603
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	335.03817
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	6.55
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(C2=CC=NN2C1)C(=O)CNC(=O)C3C4=CC=CC=C4C(=O)N3C5CC5

DOS

IR

Vibrations