Geometry & MOs

Info

ID:	206644
PubChem CID:	80277646
Reduced:	O2N3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	300.115716
ΔH_f, kcal/mol:	11.12
Dipole, Da:	7.24
IP(EA), eV:	-10.12(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)N2C=CN=C2C#N

DOS

IR

Vibrations