Geometry & MOs

Info

ID:	172439
PubChem CID:	75510315
Reduced:	N5H15C16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	332.083078
ΔH_f, kcal/mol:	124.74
Dipole, Da:	5.13
IP(EA), eV:	-9.61(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C(/C)\C2=NC=CN=C2)N3C=NC=N3

DOS

IR

Vibrations