Geometry & MOs

Info

ID:	250567
PubChem CID:	103097575
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	3.48
Dipole, Da:	2.59
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-1-methylimidazo[1,2-a]imidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN3C=C(N(C3=N2)C)C(=O)O

DOS

IR

Vibrations