Geometry & MOs

Info

ID:	142751
PubChem CID:	53085008
Reduced:	ClN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	475.218367
ΔH_f, kcal/mol:	-114.57
Dipole, Da:	2.55
IP(EA), eV:	-8.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations