Geometry & MOs

Info

ID:	193970
PubChem CID:	78460653
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	359.244701
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	7.94
IP(EA), eV:	-8.94(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=CC2=C(NN(C2=O)C3=CC(=CC=C3)Cl)C)NC1=O

DOS

IR

Vibrations