Geometry & MOs

Info

ID:	405830
PubChem CID:	135075590
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	224.13449
ΔH_f, kcal/mol:	2.92
Dipole, Da:	3.15
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylimidazol-4-yl)-2-trimethylsilylpropan-1-one

Drug info:

PubChemData

Smile

CC1=[N+](C(=CC=C1)/C(=C/C(C)C)/C)[O-]

DOS

IR

Vibrations