Geometry & MOs

Info

ID:	203016
PubChem CID:	79761919
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	44.08
Dipole, Da:	6.17
IP(EA), eV:	-8.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-ethylimidazol-2-yl)-2,2-dimethylhexan-3-one

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CC2C3=CC=CC=C3CN2

DOS

IR

Vibrations