Geometry & MOs

Info

ID:	121201
PubChem CID:	50758637
Reduced:	F2O3N5H23C24 (1)
Stoich.:	A2B3C5D23E24 (1)
Weight, g/mol:	417.27399
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	5.29
IP(EA), eV:	-9.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-cycloheptyl-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1(CN2C(=CC(=N2)C(=O)NCC3=CC(=CC=C3)F)C(=O)N1C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations