Geometry & MOs

Info

ID:	173618
PubChem CID:	75663383
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	207.113353
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	5.14
IP(EA), eV:	-7.89(0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,4-dimethyl-5-propyl-1H-pyrano[2,3-c]pyrazol-1-ium-6-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)NC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations