Geometry & MOs

Info

ID:	46978
PubChem CID:	10528740
Reduced:	F2N2O2C29H34 (1)
Stoich.:	A2B2C2D29E34 (1)
Weight, g/mol:	480.287574
ΔH_f, kcal/mol:	-113.57
Dipole, Da:	3.34
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-[[4-(2,2-dimethylpropanoyl)phenyl]methoxymethyl]oxolan-2-yl]methoxymethyl]phenyl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCCN2CCN(CC2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations