Geometry & MOs

Info

ID:	197211
PubChem CID:	78938244
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	282.149891
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	7.61
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N(C)C(C)C2=CC=CS2)[N+](=O)[O-])O

DOS

IR

Vibrations