Geometry & MOs

Info

ID:	141865
PubChem CID:	52942524
Reduced:	F2N2O2C25H32 (1)
Stoich.:	A2B2C2D25E32 (1)
Weight, g/mol:	340.147473
ΔH_f, kcal/mol:	-162.22
Dipole, Da:	4.23
IP(EA), eV:	-9.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-7-methoxy-8-(3-methylbutyl)chromen-2-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CC2)C3=CC(=CC=C3)C(C)(C)C)O

DOS

IR

Vibrations