Geometry & MOs

Info

ID:	265684
PubChem CID:	103538593
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	14.11
Dipole, Da:	3.82
IP(EA), eV:	-8.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxypyrrolidin-1-yl)-3,3-dimethylbutan-2-one

Drug info:

PubChemData

Smile

COC1CCN(C1)CC2=NC(=C3C=CSC3=N2)N

DOS

IR

Vibrations