Geometry & MOs

Info

ID:	400007
PubChem CID:	135044468
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	264.151415
ΔH_f, kcal/mol:	-137.95
Dipole, Da:	1.99
IP(EA), eV:	-9.23(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethenylphenyl)-2,2-dimethyl-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N2CC=CC2

DOS

IR

Vibrations