Geometry & MOs

Info

ID:	329714
PubChem CID:	127246581
Reduced:	FON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	6.13
IP(EA), eV:	-9.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CCC3=CC=C(C=C3)F

DOS

IR

Vibrations