Geometry & MOs

Info

ID:	279008
PubChem CID:	103840449
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	230.163043
ΔH_f, kcal/mol:	-36.26
Dipole, Da:	5.52
IP(EA), eV:	-9.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)C2=C(N=C(S2)C)C)CN

DOS

IR

Vibrations