Geometry & MOs

Info

ID:	83296
PubChem CID:	49857418
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	4.92
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)OCCCN2CCCC2)N3CCCC3

DOS

IR

Vibrations