Geometry & MOs

Info

ID:	225821
PubChem CID:	87226456
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	241.085127
ΔH_f, kcal/mol:	-123.31
Dipole, Da:	3.56
IP(EA), eV:	-10.13(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-indol-2-ylidene-2-methyl-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C(=O)C)C(=O)C

DOS

IR

Vibrations