Geometry & MOs

Info

ID:	220339
PubChem CID:	85177312
Reduced:	ON6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	246.046299
ΔH_f, kcal/mol:	61.68
Dipole, Da:	7.46
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(methoxyiminomethyl)-1,2-thiazol-5-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1C=CC(CC1CO)N2N=C3C(=NC=NC3=N2)N

DOS

IR

Vibrations