Geometry & MOs

Info

ID:	134468
PubChem CID:	51702029
Reduced:	ClFN4O4H14C20 (1)
Stoich.:	ABC4D4E14F20 (1)
Weight, g/mol:	394.119654
ΔH_f, kcal/mol:	-102.28
Dipole, Da:	2.54
IP(EA), eV:	-9.06(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](N2C(=NC1=O)C(=CN2)C3=CC=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

DOS

IR

Vibrations