Geometry & MOs

Info

ID:	306211
PubChem CID:	125002732
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	4.29
IP(EA), eV:	-8.61(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC[C@@H]1CCC2=NC(=CC=C2)NC

DOS

IR

Vibrations