Geometry & MOs

Info

ID:	393636
PubChem CID:	135021324
Reduced:	NO2H21C28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	285.157623
ΔH_f, kcal/mol:	97.6
Dipole, Da:	6.28
IP(EA), eV:	-9.12(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](C(=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations