Geometry & MOs

Info

ID:	172494
PubChem CID:	75516266
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	331.062677
ΔH_f, kcal/mol:	-70.73
Dipole, Da:	3.04
IP(EA), eV:	-9.23(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC(C)C2=CN(N=C2)C)C(=O)OC

DOS

IR

Vibrations