Geometry & MOs

Info

ID:	391335
PubChem CID:	135004373
Reduced:	FN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-140.42
Dipole, Da:	1.87
IP(EA), eV:	-10.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2-nitrophenyl)hexan-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=CCC#N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations