Geometry & MOs

Info

ID:	292221
PubChem CID:	114510935
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	4.5
IP(EA), eV:	-9.21(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholine-4-carbonyl)-4-ethylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CN(CCC1O)CC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations