Geometry & MOs

Info

ID:	329729
PubChem CID:	127246596
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	37.56
Dipole, Da:	4.66
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CN4C(=CC=CC4=N3)C

DOS

IR

Vibrations