Geometry & MOs

Info

ID:	340384
PubChem CID:	127262395
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	248.09277
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	3.76
IP(EA), eV:	-8.84(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-(2-chloroethylcarbamoylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)OC(C#CCN2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations