Geometry & MOs

Info

ID:	303177
PubChem CID:	124489322
Reduced:	ClON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-18.05
Dipole, Da:	4.16
IP(EA), eV:	-9.28(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)/C=C/C2=CC=C(C=C2)Cl

DOS

IR

Vibrations