Geometry & MOs

Info

ID:	420553
PubChem CID:	135113843
Reduced:	SO2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	5.8
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[methyl-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CCCCSCC1=C(OC(=C1)C(=O)N2CCC(CC2)C3=NN=CN3C)C

DOS

IR

Vibrations