Geometry & MOs

Info

ID:	147261
PubChem CID:	53786916
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	448.059229
ΔH_f, kcal/mol:	35.52
Dipole, Da:	1.6
IP(EA), eV:	-8.57(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-methylbenzoyl)benzoyl]phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN(C)CCN(C)CC1=CC(=CC=C1)C=C

DOS

IR

Vibrations