Geometry & MOs

Info

ID:	165912
PubChem CID:	74613108
Reduced:	Cl2N2O2C20H23 (1)
Stoich.:	A2B2C2D20E23 (1)
Weight, g/mol:	273.15628
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.135158
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CNC(=O)C2=C(C(=CC=C2)Cl)Cl)[NH+]3CCCC3

DOS

IR

Vibrations