Geometry & MOs

Info

ID:	58914
PubChem CID:	24715692
Reduced:	FO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	9.42
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylmethyl)-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1CN2CCN3C(=CC(=N3)C(=O)NC4=CC=C(C=C4)F)C2=O

DOS

IR

Vibrations