Geometry & MOs

Info

ID:	172991
PubChem CID:	75580187
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	343.179696
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	2.64
IP(EA), eV:	-7.88(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-7-[3-(4-methylpyridin-3-yl)phenyl]imidazo[1,2-b][1,2,4]triazine

Drug info:

PubChemData

Smile

CCCNC1=C(C=C2C(=C1)CC3C4C2(CCCC4)CCN3)O

DOS

IR

Vibrations