Geometry & MOs

Info

ID:	122182
PubChem CID:	50797094
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-90.26
Dipole, Da:	8.33
IP(EA), eV:	-8.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)NC(=O)NC3=C(C=CC=C3C)C)OC1=O

DOS

IR

Vibrations