Geometry & MOs

Info

ID:	90053
PubChem CID:	49965971
Reduced:	NO5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	182.062618
ΔH_f, kcal/mol:	-21.45
Dipole, Da:	7.81
IP(EA), eV:	-8.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2C3C4COC(O4)C(=O)C3C5N2C=CC6=CC=CC=C56

DOS

IR

Vibrations