Geometry & MOs

Info

ID:	329803
PubChem CID:	127246670
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	329.156184
ΔH_f, kcal/mol:	-20.54
Dipole, Da:	6.12
IP(EA), eV:	-9.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCC(=O)N2CCC(C2)C3=NC(=CC(=N3)C)C

DOS

IR

Vibrations