Geometry & MOs

Info

ID:	397815
PubChem CID:	135030777
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	296.17763
ΔH_f, kcal/mol:	-121.52
Dipole, Da:	3.35
IP(EA), eV:	-8.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-2,2,3-trimethyl-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)[N+](=O)[O-])NC1=CC=C(C=C1)OC

DOS

IR

Vibrations