Geometry & MOs

Info

ID:	83025
PubChem CID:	49857029
Reduced:	SN2O4H18C25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	7.75
IP(EA), eV:	-8.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)O)/O

DOS

IR

Vibrations