Geometry & MOs

Info

ID:	371755
PubChem CID:	131271493
Reduced:	O2N4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	204.064726
ΔH_f, kcal/mol:	6.46
Dipole, Da:	11.73
IP(EA), eV:	-9.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyano-3-methyl-7H-imidazo[1,2-a]imidazol-5-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=CN2C(=C(N=C2N1)C(=O)O)C#N

DOS

IR

Vibrations