Geometry & MOs

Info

ID:	329708
PubChem CID:	127246575
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	309.060569
ΔH_f, kcal/mol:	46.8
Dipole, Da:	6.56
IP(EA), eV:	-9.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CN=C(N=C3)C4CC4

DOS

IR

Vibrations