Geometry & MOs

Info

ID:	131349
PubChem CID:	51194394
Reduced:	N3O5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	309.078327
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	7.0
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C

DOS

IR

Vibrations