Geometry & MOs

Info

ID:	330774
PubChem CID:	127248181
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	13.69
Dipole, Da:	3.1
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[3-[4-[2-(2,2-dimethylpropylamino)pyridin-4-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)CNC1=NC=CC(=C1)C2=C(NN=C2)C3CCN(C3)C(=O)C4CC4

DOS

IR

Vibrations