Geometry & MOs

Info

ID:	329844
PubChem CID:	127246711
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	11.27
Dipole, Da:	4.82
IP(EA), eV:	-8.7(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-1H-pyrazol-3-yl)-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations