Geometry & MOs

Info

ID:	406781
PubChem CID:	135078601
Reduced:	ON2C7H12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	141.102788
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	7.3
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-1-(2-methylpropylidene)pyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

CC(C)/C=[N+]\1/CCC(=N1)[O-]

DOS

IR

Vibrations