Geometry & MOs

Info

ID:	333879
PubChem CID:	127252431
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	5.49
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2(CCCN2C(=O)C3CCCC3)C)C

DOS

IR

Vibrations