Geometry & MOs

Info

ID:	139289
PubChem CID:	52504600
Reduced:	OCl2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	358.04292
ΔH_f, kcal/mol:	53.8
Dipole, Da:	7.6
IP(EA), eV:	-9.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NN=NN1C2CC2)[C@@H]3[C@H](CC4=C3C=C(C=C4Cl)Cl)O

DOS

IR

Vibrations