Geometry & MOs

Info

ID:	179490
PubChem CID:	76490583
Reduced:	Cl2N3O4H25C29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	255.182101
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	5.24
IP(EA), eV:	-9.7(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-cyclohexylpiperazin-1-ium-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=NN(C1=O)CCNC(CC2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations