Geometry & MOs

Info

ID:	329888
PubChem CID:	127246755
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	28.97
Dipole, Da:	6.65
IP(EA), eV:	-8.74(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)C(=O)N2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations