Geometry & MOs

Info

ID:	254387
PubChem CID:	103124927
Reduced:	ON2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	6.72
Dipole, Da:	3.62
IP(EA), eV:	-8.78(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylimidazol-2-yl)-1-(1-methylindazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC(CC#C)N1C=CNC1=O

DOS

IR

Vibrations