Geometry & MOs

Info

ID:	295217
PubChem CID:	117521883
Reduced:	O2N4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	269.104338
ΔH_f, kcal/mol:	-18.88
Dipole, Da:	9.72
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-chloro-3-methyl-2-(oxan-4-yl)imidazo[1,2-b][1,2,4]triazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=NN2C(=C(N=C2N1C)C(=O)O)C

DOS

IR

Vibrations