Geometry & MOs

Info

ID:	329780
PubChem CID:	127246647
Reduced:	N5C17H25 (1)
Stoich.:	A5B17C25 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	36.91
Dipole, Da:	4.79
IP(EA), eV:	-8.75(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=NC=CN3C(C)C)C

DOS

IR

Vibrations