Geometry & MOs

Info

ID:	432314
PubChem CID:	135172447
Reduced:	IO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	8.12
IP(EA), eV:	-8.97(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3R)-3-ethoxypyrrolidin-1-yl]phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(=O)CN1CCC(CC1)CN2CCN(CC2)C3=NC=C(C=C3)C(=O)I

DOS

IR

Vibrations