Geometry & MOs

Info

ID:	423822
PubChem CID:	135120368
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	4.95
IP(EA), eV:	-8.56(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C3=NC(=NC=C3)N

DOS

IR

Vibrations