Geometry & MOs

Info

ID:	30151
PubChem CID:	840324
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	230.985384
ΔH_f, kcal/mol:	-137.98
Dipole, Da:	8.6
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2,2-dichlorocyclopropyl]-4-nitrobenzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)O)C=C3

DOS

IR

Vibrations