Geometry & MOs

Info

ID:	122176
PubChem CID:	50796997
Reduced:	OF4N5H23C26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	499.25834
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	3.77
IP(EA), eV:	-8.79(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=CC=C2C(F)(F)F)C3=NC=CN4C3=CC(=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations