Geometry & MOs

Info

ID:	189204
PubChem CID:	77826108
Reduced:	FNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	363.232892
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	2.01
IP(EA), eV:	-9.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-amino-12-(3-chlorophenyl)-10-ethyl-2,2-dimethyldodec-5-en-4-one

Drug info:

PubChemData

Smile

CN(C(CC1=CC=CC=C1F)CO)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations