Geometry & MOs

Info

ID:	304305
PubChem CID:	124510856
Reduced:	ClNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-153.21
Dipole, Da:	7.77
IP(EA), eV:	-10.08(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-1-phenylethanone

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)NC(=O)C2=CC=C(O2)Cl)C(=O)O

DOS

IR

Vibrations