Geometry & MOs

Info

ID:	266645
PubChem CID:	103577576
Reduced:	ClO2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	3.8
Dipole, Da:	5.91
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-4-methylpyrrolidin-1-yl)-1-propan-2-ylpyrazin-2-one

Drug info:

PubChemData

Smile

CC1CN(CC1N)C2=C(C(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations