Geometry & MOs

Info

ID:	160486
PubChem CID:	57309834
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	516.372722
ΔH_f, kcal/mol:	-74.84
Dipole, Da:	8.65
IP(EA), eV:	-9.22(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-[4-[methyl(prop-2-enyl)amino]but-2-enoxy]phenyl]-3-hydroxy-3-[methyl(prop-2-enyl)amino]tridecan-1-one

Drug info:

PubChemData

Smile

CC1=C2C=CC(=O)C=C2OC(=N1)CCNC(=O)C3CCC3

DOS

IR

Vibrations