Geometry & MOs

Info

ID:	367066
PubChem CID:	127323051
Reduced:	OSN2C7H7 (2)
Stoich.:	ABC2D7E7 (2)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	33.59
Dipole, Da:	5.65
IP(EA), eV:	-8.86(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-4-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)SC3=NN=C(S3)N4CCOCC4

DOS

IR

Vibrations