Geometry & MOs

Info

ID:	403594
PubChem CID:	135060924
Reduced:	N2H16C19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	251.142042
ΔH_f, kcal/mol:	122.1
Dipole, Da:	2.13
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-deuterio-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(/C=C/N2C=CC=N2)\C3=CC=CC=C3

DOS

IR

Vibrations