Geometry & MOs

Info

ID:	311935
PubChem CID:	126599414
Reduced:	SO3N5C20H20 (2)
Stoich.:	AB3C5D20E20 (2)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	-83.78
Dipole, Da:	5.41
IP(EA), eV:	-9.04(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-(methylamino)-1-pyrrolidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(C1=CC=CC=C1)C(=O)N2CCC[C@H]2C3=NC=C(N3)C4=NC=C(S4)C5=CN=C(S5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)C(C8=CC=CC=C8)NC(=O)OC

DOS

IR

Vibrations