Geometry & MOs

Info

ID:	329997
PubChem CID:	127246984
Reduced:	ClON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	0.83
Dipole, Da:	6.54
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations