Geometry & MOs

Info

ID:	253497
PubChem CID:	103118794
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-55.03
Dipole, Da:	6.39
IP(EA), eV:	-9.45(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-4-ethyl-5-(1-methylpyrazol-3-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=C(N=N2)C(=O)O)CCN)O

DOS

IR

Vibrations