Geometry & MOs

Info

ID:	202914
PubChem CID:	79744345
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	43.8
Dipole, Da:	5.85
IP(EA), eV:	-7.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(CC1=NC=CN1C)(C2=CC=CC=C2Br)N

DOS

IR

Vibrations