Geometry & MOs

Info

ID:	162861
PubChem CID:	57578136
Reduced:	SN2O2C59H60 (1)
Stoich.:	AB2C2D59E60 (1)
Weight, g/mol:	201.053826
ΔH_f, kcal/mol:	52.01
Dipole, Da:	8.06
IP(EA), eV:	-7.95(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-pyrazolo[1,5-a]benzimidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C=C(C5)C6=CC=C(S6)/C=C(\C#N)/C(=O)O)C7=CC8=C(C=C7)C9=CC=CC=C9C8(CCCC)CCCC)CCCC

DOS

IR

Vibrations