Geometry & MOs

Info

ID:	73093
PubChem CID:	48416982
Reduced:	N5O5C16H17 (1)
Stoich.:	A5B5C16D17 (1)
Weight, g/mol:	336.98105
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	7.05
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations