Geometry & MOs

Info

ID:	83294
PubChem CID:	49857416
Reduced:	SN3O4H21C27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-12.22
Dipole, Da:	8.91
IP(EA), eV:	-8.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)OC5=CC=CC=C5)/O

DOS

IR

Vibrations