Geometry & MOs

Info

ID:	150958
PubChem CID:	53790655
Reduced:	ClON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	212.054555
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	6.52
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(N-carboxy-C-pyrazol-1-ylcarbonimidoyl)-methylcarbamic acid

Drug info:

PubChemData

Smile

CCCC(=NC(=O)NC1=CC=C(C=C1)Cl)N

DOS

IR

Vibrations